From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Fri, 17 Feb 2017 08:24:41 +0000 (+0100)
Subject: etor & etor_d multichain match prerelease
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=b05d82c3d028d22db2d3b9bb47e40f0c59be753f;p=unres4.git

etor & etor_d multichain match prerelease
---

diff --git a/source/unres/cinfo.f90 b/source/unres/cinfo.f90
index 62433a6..e8a4224 100644
--- a/source/unres/cinfo.f90
+++ b/source/unres/cinfo.f90
@@ -1,11 +1,11 @@
 ! DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
-! 0 40376 54
+! 0 40376 55
       subroutine cinfo
 !      include 'COMMON.IOUNITS'
       use io_units
       write(iout,*)'++++ Compile info ++++'
-      write(iout,*)'Version 0.40376 build 54'
-      write(iout,*)'compiled Wed Feb 15 09:03:06 2017'
+      write(iout,*)'Version 0.40376 build 55'
+      write(iout,*)'compiled Fri Feb 17 01:55:34 2017'
       write(iout,*)'compiled by czarek@piasek4'
       write(iout,*)'OS name:    Linux '
       write(iout,*)'OS release: 3.2.0-111-generic '
diff --git a/source/unres/energy.f90 b/source/unres/energy.f90
index 4bb6804..7960906 100644
--- a/source/unres/energy.f90
+++ b/source/unres/energy.f90
@@ -5537,6 +5537,7 @@
       etors=0.0D0
       do i=iphi_start,iphi_end
         if (itype(i-2).eq.ntyp1 .or. itype(i-1).eq.ntyp1 &
+             .or. itype(i-3).eq.ntyp1 &
              .or. itype(i).eq.ntyp1) cycle
         etors_ii=0.0D0
          if (iabs(itype(i)).eq.20) then
@@ -5647,6 +5648,7 @@
       do i=iphid_start,iphid_end
         etors_d_ii=0.0D0
         if (itype(i-2).eq.ntyp1 .or. itype(i-1).eq.ntyp1 &
+            .or. itype(i-3).eq.ntyp1 &
             .or. itype(i).eq.ntyp1 .or. itype(i+1).eq.ntyp1) cycle
         itori=itortyp(itype(i-2))
         itori1=itortyp(itype(i-1))