From 2cc8c6cac5fea15e5e34342546bb72213fa12f67 Mon Sep 17 00:00:00 2001 From: Adam Sieradzan Date: Thu, 11 Feb 2016 08:21:25 +0100 Subject: [PATCH] adding correction in cluster debug --- source/cluster/wham/src-M/probabl.F | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/source/cluster/wham/src-M/probabl.F b/source/cluster/wham/src-M/probabl.F index d235ea5..d563daf 100644 --- a/source/cluster/wham/src-M/probabl.F +++ b/source/cluster/wham/src-M/probabl.F @@ -140,7 +140,7 @@ c write (iout,'(8f10.5)') ((c(l,k+nres),l=1,3),k=nnt,nct) c call enerprint(energia(0),fT) c call pdbout(totfree(i),16,i) #ifdef DEBUG - write (iout,*) i," energia",(energia(j),j=0,19) + write (iout,*) i," energia",(energia(j),j=0,max_ene) write (iout,*) "etot", etot write (iout,*) "ft(6)", ft(6) #endif @@ -180,6 +180,7 @@ c write (iout,*) evdw estr=enetb(18,i) esccor=enetb(19,i) edihcnstr=enetb(20,i) + evdw_t=enetb(21,i) c#ifdef SPLITELE c etot=wsc*(evdw+ft(6)*evdw_t)+wscp*evdw2+ c &ft(1)*welec*ees+wvdwpp*evdw1 -- 1.7.9.5