Just few comments added to WHAM to clarify

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

diff --git a/source/wham/src/molread_zs.F b/source/wham/src/molread_zs.F
index a7166b7..6e0727f 100644 (file)
--- a/source/wham/src/molread_zs.F
+++ b/source/wham/src/molread_zs.F
@@ -205,7 +205,10 @@ C bridging residues.
       endif
       endif
       if (ns.gt.0.and.dyn_ss) then
+C /06/28/2013 Adasko:ns is number of Cysteins bonded also called half of
+C the bond
           do i=nss+1,nhpb
+C /06/28/2013 Adasko: nss number of full SS bonds
             ihpb(i-nss)=ihpb(i)
             jhpb(i-nss)=jhpb(i)
             forcon(i-nss)=forcon(i)
@@ -216,6 +219,7 @@ C bridging residues.
           call hpb_partition
           do i=1,ns
             dyn_ss_mask(iss(i))=.true.
+C /06/28/2013 Adasko: dyn_ss_mask which Cysteins can form disulfidebond
 c          write(iout,*) i,iss(i),dyn_ss_mask(iss(i)),"ATU"
           enddo
       endif