From 25cf4acee8e56498ffe13a204a90853d8c415869 Mon Sep 17 00:00:00 2001 From: Adam Sieradzan Date: Mon, 25 May 2015 11:42:36 +0200 Subject: [PATCH] TRISS debug --- source/unres/src_MD-M/ssMD.F | 2 +- source/wham/src-M/parmread.F | 5 +++++ 2 files changed, 6 insertions(+), 1 deletion(-) diff --git a/source/unres/src_MD-M/ssMD.F b/source/unres/src_MD-M/ssMD.F index f59466c..8b7f2a4 100644 --- a/source/unres/src_MD-M/ssMD.F +++ b/source/unres/src_MD-M/ssMD.F @@ -1990,7 +1990,7 @@ c integer itypi,itypj,k,l double precision ssA,ssB,ssC,ssXs double precision ssxm,ljxm,ssm,ljm double precision d_ssxm(1:3),d_ljxm(1:3),d_ssm(1:3),d_ljm(1:3) - + if (dtriss.eq.0) return i=resi j=resj k=resk diff --git a/source/wham/src-M/parmread.F b/source/wham/src-M/parmread.F index 87be54f..d4fa521 100644 --- a/source/wham/src-M/parmread.F +++ b/source/wham/src-M/parmread.F @@ -70,6 +70,11 @@ c If reading not own parameters, skip assignment call reada(controlcard,"BTRISS",btriss,0.02D0) call reada(controlcard,"CTRISS",ctriss,1.0D0) dyn_ss=(index(controlcard,'DYN_SS').gt.0) + write(iout,*) "ATRISS",atriss + write(iout,*) "BTRISS",btriss + write(iout,*) "CTRISS",ctriss + write(iout,*) "DTRISS",dtriss + C do i=1,maxres C dyn_ss_mask(i)=.false. C enddo -- 1.7.9.5