From e51900fbfd051455bc2983ff8d287899ec47822f Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Fri, 20 Jul 2018 14:02:26 +0200 Subject: [PATCH] no stop after Bad Cartesians in wham --- source/wham/src-M/readpdb.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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) -- 1.7.9.5