update

[unres.git] / source / cluster / wham / src / parmread.F

diff --git a/source/cluster/wham/src/parmread.F b/source/cluster/wham/src/parmread.F
index 7f6a145..b1a9a32 100644 (file)
--- a/source/cluster/wham/src/parmread.F
+++ b/source/cluster/wham/src/parmread.F
@@ -502,6 +502,7 @@ cc maxinter is maximum interaction sites
 
       if (lprint) then
         write (iout,'(/a/)') 'Torsional constants:'
+        do l=1,maxinter
         do i=1,nsccortyp
           do j=1,nsccortyp
             write (iout,*) 'ityp',i,' jtyp',j
@@ -517,6 +518,7 @@ cc maxinter is maximum interaction sites
             enddo
           enddo
         enddo
+        enddo
       endif
 
 C
@@ -810,7 +812,7 @@ C
 C
 C Define the constants of the disulfide bridge
 C
-      ebr=-5.50D0
+C      ebr=-5.50D0
 c
 c Old arbitrary potential - commented out.
 c
@@ -821,19 +823,12 @@ c Constants of the disulfide-bond potential determined based on the RHF/6-31G**
 c energy surface of diethyl disulfide.
 c A. Liwo and U. Kozlowska, 11/24/03
 c
-      D0CM = 3.78d0
-      AKCM = 15.1d0
-      AKTH = 11.0d0
-      AKCT = 12.0d0
-      V1SS =-1.08d0
-      V2SS = 7.61d0
-      V3SS = 13.7d0
-
-      write (iout,'(/a)') "Disulfide bridge parameters:"
-      write (iout,'(a,f10.2)') 'S-S bridge energy: ',ebr
-      write (iout,'(2(a,f10.2))') 'd0cm:',d0cm,' akcm:',akcm
-      write (iout,'(2(a,f10.2))') 'akth:',akth,' akct:',akct
-      write (iout,'(3(a,f10.2))') 'v1ss:',v1ss,' v2ss:',v2ss,
-     & ' v3ss:',v3ss
+C      D0CM = 3.78d0
+C      AKCM = 15.1d0
+C      AKTH = 11.0d0
+C      AKCT = 12.0d0
+C      V1SS =-1.08d0
+C      V2SS = 7.61d0
+C      V3SS = 13.7d0
       return
       end