DFA & lipid

[unres.git] / source / wham / src-HCD-5D / parmread.F

diff --git a/source/wham/src-HCD-5D/parmread.F b/source/wham/src-HCD-5D/parmread.F
index ecf40a7..4636b60 100644 (file)
--- a/source/wham/src-HCD-5D/parmread.F
+++ b/source/wham/src-HCD-5D/parmread.F
@@ -63,6 +63,8 @@ C Assign virtual-bond length
       call reada(controlcard,'SCALSCP',scalscp,1.0d0)
       call reada(controlcard,'CUTOFF',cutoff_corr,7.0d0)
       call reada(controlcard,'DELT_CORR',delt_corr,0.5d0)
+      call reada(controlcard,'LIPSCALE',lipscale,1.0D0)
+c      write (iout,*) "lipscale",lipscale
       r0_corr=cutoff_corr-delt_corr
 
       write (iout,*) "iparm",iparm," myparm",myparm
@@ -102,8 +104,8 @@ c
       V2SS = 7.61d0
       V3SS = 13.7d0
 
-      do i=1,maxres-1
-        do j=i+1,maxres
+      do i=1,max_cyst-1
+        do j=i+1,max_cyst
           dyn_ssbond_ij(i,j)=1.0d300
         enddo
       enddo