C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
- C 3 1 52
-C 3 1 78
++C 3 1 53
subroutine cinfo
include 'COMMON.IOUNITS'
write(iout,*)'++++ Compile info ++++'
- write(iout,*)'Version 3.1 build 52'
- write(iout,*)'compiled Sun Feb 17 00:55:22 2013'
- write(iout,*)'Version 3.1 build 78'
- write(iout,*)'compiled Sun Feb 17 03:00:27 2013'
++ write(iout,*)'Version 3.1 build 53'
++ write(iout,*)'compiled Sun Feb 17 03:17:55 2013'
write(iout,*)'compiled by czarek@piasek3'
write(iout,*)'OS name: Linux '
write(iout,*)'OS release: 2.6.32-42-generic '
C distance and angle dependent SS bond potential.
cmc if (ii.gt.nres .and. itype(iii).eq.1 .and. itype(jjj).eq.1) then
C 18/07/06 MC: Use the convention that the first nss pairs are SS bonds
- c if (.not.dyn_ss .and. i.le.nss) then
- C 15/02/13 CC dynamic SSbond
- if (.not.dyn_ss.and.
- & ii.gt.nres .and. itype(iii).eq.1 .and. itype(jjj).eq.1) then
+ if (.not.dyn_ss .and. i.le.nss) then
+ C 15/02/13 CC dynamic SSbond - additional check
+ if (ii.gt.nres
+ & .and. itype(iii).eq.1 .and. itype(jjj).eq.1) then
call ssbond_ene(iii,jjj,eij)
ehpb=ehpb+2*eij
- c write (iout,*) "eij",eij
+ endif
-cd write (iout,*) "eij",eij
else if (ii.gt.nres .and. jj.gt.nres) then
c Restraints from contact prediction
dd=dist(ii,jj)