wham debug off and bug fix for dtriss =0

[unres.git] / source / unres / src_MD-M / ssMD.F

diff --git a/source/unres/src_MD-M/ssMD.F b/source/unres/src_MD-M/ssMD.F
index 50e1040..dceec72 100644 (file)
--- a/source/unres/src_MD-M/ssMD.F
+++ b/source/unres/src_MD-M/ssMD.F
@@ -624,9 +624,9 @@ cmc      write(iout,*)"NEWNSS ",newnss,(newihpb(i),newjhpb(i),i=1,newnss)
         enddo
 #ifndef CLUST
 #ifndef WHAM
-        if (.not.found.and.fg_rank.eq.0) 
-     &      write(iout,'(a15,f12.2,f8.1,2i5)')
-     &       "SSBOND_BREAK",totT,t_bath,idssb(i),jdssb(i)
+c        if (.not.found.and.fg_rank.eq.0) 
+c     &      write(iout,'(a15,f12.2,f8.1,2i5)')
+c     &       "SSBOND_BREAK",totT,t_bath,idssb(i),jdssb(i)
 #endif
 #endif
       enddo
@@ -639,9 +639,9 @@ cmc      write(iout,*)"NEWNSS ",newnss,(newihpb(i),newjhpb(i),i=1,newnss)
         enddo
 #ifndef CLUST
 #ifndef WHAM
-        if (.not.found.and.fg_rank.eq.0) 
-     &      write(iout,'(a15,f12.2,f8.1,2i5)')
-     &       "SSBOND_FORM",totT,t_bath,newihpb(i),newjhpb(i)
+c        if (.not.found.and.fg_rank.eq.0) 
+c     &      write(iout,'(a15,f12.2,f8.1,2i5)')
+c     &       "SSBOND_FORM",totT,t_bath,newihpb(i),newjhpb(i)
 #endif
 #endif
       enddo
@@ -655,41 +655,10 @@ cmc      write(iout,*)"NEWNSS ",newnss,(newihpb(i),newjhpb(i),i=1,newnss)
       return
       end
 
-c----------------------------------------------------------------------------
-
-#ifdef WHAM
-      subroutine read_ssHist
-      implicit none
-
-c     Includes
-      include 'DIMENSIONS'
-      include "DIMENSIONS.FREE"
-      include 'COMMON.FREE'
-
-c     Local variables
-      integer i,j
-      character*80 controlcard
-
-      do i=1,dyn_nssHist
-        call card_concat(controlcard,.true.)
-        read(controlcard,*)
-     &       dyn_ssHist(i,0),(dyn_ssHist(i,j),j=1,2*dyn_ssHist(i,0))
-      enddo
-
-      return
-      end
-#endif
-
-c----------------------------------------------------------------------------
-
 
 C-----------------------------------------------------------------------------
 C-----------------------------------------------------------------------------
 C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
-C-----------------------------------------------------------------------------
 
 c$$$c-----------------------------------------------------------------------------
 c$$$
@@ -1990,7 +1959,8 @@ 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)
-
+      eij=0.0
+      if (dtriss.eq.0) return
       i=resi
       j=resj
       k=resk