From: Cezary Czaplewski Date: Fri, 20 Jul 2018 12:12:01 +0000 (+0200) Subject: no stop Bad cartesian readpdb cluster X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=ecdaefb55cd2370287e648c14fb657d5c7ad5145 no stop Bad cartesian readpdb cluster --- diff --git a/source/cluster/wham/src-M/readpdb.f b/source/cluster/wham/src-M/readpdb.f index 856db5f..5913aa6 100644 --- a/source/cluster/wham/src-M/readpdb.f +++ b/source/cluster/wham/src-M/readpdb.f @@ -298,7 +298,7 @@ c write (iout,*) i,dist(i,i-1) if ((dist(i,i-1).lt.2.0D0 .or. dist(i,i-1).gt.5.0D0) &.and.(iti.ne.ntyp1).and.(itype(i-1).ne.ntyp1)) then write (iout,'(a,i4)') 'Bad Cartesians for residue',i - stop +c stop endif theta(i+1)=alpha(i-1,i,i+1) if (i.gt.2) phi(i+1)=beta(i-2,i-1,i,i+1)