From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Wed, 25 Jul 2018 08:14:26 +0000 (+0200)
Subject: out-of-bounds stdfsc from Adam
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=c67de1dba6e593dfb17438f5dd213ec1494a144a

out-of-bounds stdfsc from Adam
---

diff --git a/source/unres/src_MD-M/MD.F b/source/unres/src_MD-M/MD.F
index 0f12f9b..1a0f8bc 100644
--- a/source/unres/src_MD-M/MD.F
+++ b/source/unres/src_MD-M/MD.F
@@ -1631,7 +1631,8 @@ c if the friction coefficients do not depend on surface area
           stdforcp(i)=stdfp*dsqrt(gamp)
         enddo
         do i=nnt,nct
-          stdforcsc(i)=stdfsc(itype(i))*dsqrt(gamsc(iabs(itype(i))))
+         if (itype(i).ne.ntyp1)  
+     &     stdforcsc(i)=stdfsc(itype(i))*dsqrt(gamsc(iabs(itype(i))))
         enddo
       endif
 c Open the pdb file for snapshotshots
diff --git a/source/unres/src_MD-M/MD_A-MTS.F b/source/unres/src_MD-M/MD_A-MTS.F
index d75964a..90c32cf 100644
--- a/source/unres/src_MD-M/MD_A-MTS.F
+++ b/source/unres/src_MD-M/MD_A-MTS.F
@@ -1489,7 +1489,7 @@ c if the friction coefficients do not depend on surface area
           stdforcp(i)=stdfp*dsqrt(gamp)
         enddo
         do i=nnt,nct
-          stdforcsc(i)=stdfsc(iabs(itype(i)))
+          if (itype(i).ne.ntyp1) stdforcsc(i)=stdfsc(iabs(itype(i)))
      &                *dsqrt(gamsc(iabs(itype(i))))
         enddo
       endif