Devel ma zle COMMON.TORSIONAL w src_MD (single chain)

diff --git a/source/unres/src_MD-M/cinfo.f b/source/unres/src_MD-M/cinfo.f
index 213308f..670ce22 100644 (file)
--- a/source/unres/src_MD-M/cinfo.f
+++ b/source/unres/src_MD-M/cinfo.f
@@ -1,15 +1,15 @@
 C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
-C 2 3 3491
+C 2 3 3492
       subroutine cinfo
       include 'COMMON.IOUNITS'
       write(iout,*)'++++ Compile info ++++'
-      write(iout,*)'Version 2.3 build 3491'
-      write(iout,*)'compiled Wed Dec 12 07:17:09 2012'
-      write(iout,*)'compiled by aks255@matrix.chem.cornell.edu'
+      write(iout,*)'Version 2.3 build 3492'
+      write(iout,*)'compiled Tue Mar 18 08:13:10 2014'
+      write(iout,*)'compiled by adasko@piasek4'
       write(iout,*)'OS name:    Linux '
-      write(iout,*)'OS release: 2.6.34.9-69.fc13.x86_64 '
+      write(iout,*)'OS release: 3.2.0-58-generic '
       write(iout,*)'OS version:',
-     & ' #1 SMP Tue May 3 09:23:03 UTC 2011 '
+     & ' #88-Ubuntu SMP Tue Dec 3 17:37:58 UTC 2013 '
       write(iout,*)'flags:'
       write(iout,*)'CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI \\'
       write(iout,*)'           -DPGI -DSPLITELE -DISNAN -DAMD64 \\'

diff --git a/source/unres/src_MD/parmread.F b/source/unres/src_MD/parmread.F
index 8fac6c1..b7953b3 100644 (file)
--- a/source/unres/src_MD/parmread.F
+++ b/source/unres/src_MD/parmread.F
@@ -642,9 +642,9 @@ c      write (iout,*) 'ntortyp',ntortyp
 C
 C 6/23/01 Read parameters for double torsionals
 C
-      do i=1,ntortyp
-        do j=1,ntortyp
-          do k=1,ntortyp
+      do i=0,ntortyp-1
+        do j=-ntortyp+1,ntortyp-1
+          do k=-ntortyp+1,ntortyp-1
             read (itordp,'(3a1)',end=114,err=114) t1,t2,t3
 c              write (iout,*) "OK onelett",
 c     &         i,j,k,t1,t2,t3