From: Cezary Czaplewski <czarek@piasek3.chem.univ.gda.pl>
Date: Fri, 20 Jul 2018 12:02:26 +0000 (+0200)
Subject: no stop after Bad Cartesians in wham
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=e51900fbfd051455bc2983ff8d287899ec47822f

no stop after Bad Cartesians in wham
---

diff --git a/source/wham/src-M/readpdb.f b/source/wham/src-M/readpdb.f
index 3e7ecb3..8762ebb 100644
--- a/source/wham/src-M/readpdb.f
+++ b/source/wham/src-M/readpdb.f
@@ -337,7 +337,7 @@ c---------------------------------------------------------------------------
         if (iti.ne.ntyp1 .and. itype(i+1).ne.ntyp1 .and. 
      &      (dist(i,i+1).lt.2.0D0 .or. dist(i,i+1).gt.5.0D0)) then
           write (iout,'(a,i4)') 'Bad Cartesians for residue',i
-          stop
+c          stop
         endif
         vbld(i+1)=dist(i,i+1)
         vbld_inv(i+1)=1.0d0/vbld(i+1)