From: Adam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Date: Mon, 25 May 2015 09:42:36 +0000 (+0200)
Subject: TRISS debug
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=25cf4acee8e56498ffe13a204a90853d8c415869

TRISS debug
---

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