From: Adam Sieradzan Date: Tue, 18 Mar 2014 07:21:27 +0000 (+0100) Subject: Devel ma zle COMMON.TORSIONAL w src_MD (single chain) X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=3df086feea19ddecdec2c2244a0673dda9b4e692;p=unres.git 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 --- 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 --- 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