X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Freadrtns.F;h=6b0e3621f4758c632e52cd0a8b0db4f6a4bc17bd;hb=fd9626b06479a4107300c3237a392fdd9a8b28a3;hp=47850c2e392e350aa5985702faf08331f9723054;hpb=1e9023ffc7d158daeb20d8ee75ee2c3e58398ef6;p=unres.git

diff --git a/source/unres/src_MD/readrtns.F b/source/unres/src_MD/readrtns.F
index 47850c2..6b0e362 100644
--- a/source/unres/src_MD/readrtns.F
+++ b/source/unres/src_MD/readrtns.F
@@ -893,6 +893,9 @@ c        print *,'Finished reading pdb data'
         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
@@ -909,7 +912,12 @@ c        print *,'Finished reading pdb data'
      &              i,' after ',nsi,' trials'
           endif
          enddo
+C 10/03/12 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.