Adam's changes from nostromo to wham with homology

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

diff --git a/source/wham/src/parmread.F b/source/wham/src/parmread.F
index 36730f5..abb33a0 100644 (file)
--- a/source/wham/src/parmread.F
+++ b/source/wham/src/parmread.F
@@ -99,6 +99,12 @@ c
       wstrain=ww(15)
       wbond=ww(18)
       wsccor=ww(19)
+      wdfa_dist=ww(23)
+      wdfa_tor=ww(24)
+      wdfa_nei=ww(25)
+      wdfa_beta=ww(26)
+      write (iout,*) "wdfa_dist",wdfa_dist," wdfa_tor",wdfa_tor,
+     & " wdfa_nei",wdfa_nei," wdfa_beta",wdfa_beta
 
       endif
 cc      write(iout,*) "KURWA", wstrain,akcm,akth,wsc,dyn_ss
@@ -641,6 +647,7 @@ 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
@@ -655,6 +662,7 @@ cc maxinter is maximum interaction sites
             enddo
           enddo
         enddo
+        enddo
       endif
 
 C
@@ -892,7 +900,7 @@ c           augm(i,j)=0.5D0**(2*expon)*aa(i,j)
         enddo
       enddo
 C
-C Define the SC-p interaction constants
+C Define the SC-p interaction constants and SS bond potentials
 C
       if (dyn_ss) then
         ss_depth=ebr/wsc-0.25*eps(1,1)