Commit 10/1/12

[unres.git] / source / unres / src_MIN / readrtns_min.F

diff --git a/source/unres/src_MIN/readrtns_min.F b/source/unres/src_MIN/readrtns_min.F
index dee929a..9d444cf 100644 (file)
--- a/source/unres/src_MIN/readrtns_min.F
+++ b/source/unres/src_MIN/readrtns_min.F
@@ -422,6 +422,9 @@ c        print *,'Finished reading pdb data'
 c        call contact(.false.,ncont_ref,icont_ref,co)
 
         if (sideadd) then 
+C Following 2 lines for diagnostics; comment out if not needed
+         write (iout,*) "Before sideadd"
+         call intout
          if(me.eq.king.or..not.out1file)
      &    write(iout,*)'Adding sidechains'
          maxsi=1000
@@ -438,7 +441,12 @@ c        call contact(.false.,ncont_ref,icont_ref,co)
      &              i,' after ',nsi,' trials'
           endif
          enddo
+C 9/29/12 Adam: Recalculate coordinates with new side chain positions
+         call chainbuild
         endif  
+C Following 2 lines for diagnostics; comment out if not needed
+        write (iout,*) "After sideadd"
+        call intout
       endif
       if (indpdb.eq.0) then
 C Read sequence if not taken from the pdb file.