X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD%2Freadrtns.F;h=e9e576f21c005f727186b6f23c9816b8772d9bfa;hb=f9783c27de185ff3e1d6e874a37a1a8c4d3c93a3;hp=a3229a6a437c1e9f67e0003095471e3325bcc917;hpb=1346fb3959c2eb0a370b11bc6ccad5e4cca27ec9;p=unres.git

diff --git a/source/cluster/wham/src-HCD/readrtns.F b/source/cluster/wham/src-HCD/readrtns.F
index a3229a6..e9e576f 100644
--- a/source/cluster/wham/src-HCD/readrtns.F
+++ b/source/cluster/wham/src-HCD/readrtns.F
@@ -234,6 +234,7 @@ C Read weights of the subsequent energy terms.
       call reada(weightcard,'WDFAN',wdfa_nei,0.0d0)
       call reada(weightcard,'WDFAB',wdfa_beta,0.0d0)
       call reada(weightcard,'WLT',wliptran,0.0D0)
+      call reada(weightcard,'LIPSCALE',lipscale,1.0D0)
       call reada(weightcard,"ATRISS",atriss,0.301D0)
       call reada(weightcard,"BTRISS",btriss,0.021D0)
       call reada(weightcard,"CTRISS",ctriss,1.001D0)
@@ -242,8 +243,8 @@ C Read weights of the subsequent energy terms.
       do i=1,maxres
         dyn_ss_mask(i)=.false.
       enddo
-      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
@@ -716,6 +717,12 @@ C Read information about disulfide bridges.
 C Read bridging residues.
       read (inp,*) ns,(iss(i),i=1,ns)
 c      print *,'ns=',ns
+c 5/24/2020 Adam: Added a table to translate residue numbers to cysteine
+c     numbers
+      icys=0
+      do i=1,ns
+        icys(iss(i))=i
+      enddo
 C Check whether the specified bridging residues are cystines.
       do i=1,ns
 	if (itype(iss(i)).ne.1) then