********************************************************************************
### LAST MODIFIED 03/28/12 23:29 by czarek
++++ Compile info ++++
- Version 3.1 build 30
- compiled Wed Nov 7 12:05:42 2012
+ Version 3.1 build 35
+ compiled Wed Nov 7 14:04:41 2012
compiled by czarek@piasek3
OS name: Linux
OS release: 2.6.32-42-generic
V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS
13.7000000000000
EBR -5.50000000000000 SS_DEPTH -6.90133843152500
- HT -1.40133843152500
+ HT 3.59866156847500
ITEL
1 10 1
2 9 1
ALA 16 3.800 90.000 180.000 0.743 110.000 -120.000
ALA 17 3.800 90.000 180.000 0.743 110.000 -120.000
GLY 18 3.800 90.000 180.000 0.000 180.000 180.000
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
Potential energy and its components
Virtual-chain energies:
maximum acceleration 4.30400E+00
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
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+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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Momenta zeroed out, time 78.83
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Momenta zeroed out, time 165.42
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Momenta zeroed out, time 241.14
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Momenta zeroed out, time 327.40
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Momenta zeroed out, time 415.61
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+ link_start= 1 link_end= 0
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+ link_start= 1 link_end= 0
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Momenta zeroed out, time 493.13
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Momenta zeroed out, time 570.53
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Momenta zeroed out, time 657.29
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Momenta zeroed out, time 739.56
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Momenta zeroed out, time 822.78
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Momenta zeroed out, time 908.08
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Momenta zeroed out, time 989.26
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Momenta zeroed out, time 1059.64
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Momenta zeroed out, time 1147.47
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Momenta zeroed out, time 1226.41
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+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
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+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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Momenta zeroed out, time 1311.13
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+ link_start= 1 link_end= 0
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
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+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
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Momenta zeroed out, time 1399.66
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Momenta zeroed out, time 1479.65
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Momenta zeroed out, time 1556.70
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+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
Momenta zeroed out, time 1642.45
+ edis: nhpb= 0 fbr= 0.000000000000000E+000
+ link_start= 1 link_end= 0
=================================== Timing ===================================
- MD calculations setup: 8.20312E-02
- Energy & gradient evaluation: 8.30078E+00
+ MD calculations setup: 5.85938E-02
+ Energy & gradient evaluation: 8.57812E+00
Stochastic MD setup: 0.00000E+00
Stochastic MD step setup: 0.00000E+00
- MD steps: 1.05234E+01
+ MD steps: 1.07188E+01
============================ End of MD calculation ===========================
CG processor 0 is finishing work.
- Total wall clock time 10.9140625000000 sec
+ Total wall clock time 11.0117187500000 sec