Merge branch 'AFM' into multichain

[unres.git] / source / unres / src_MD-M / int_to_cart.f

diff --git a/source/unres/src_MD-M/int_to_cart.f b/source/unres/src_MD-M/int_to_cart.f
index 491c676..d3a8a92 100644 (file)
--- a/source/unres/src_MD-M/int_to_cart.f
+++ b/source/unres/src_MD-M/int_to_cart.f
@@ -14,6 +14,7 @@ c-------------------------------------------------------------
       include 'COMMON.MD'
       include 'COMMON.IOUNITS'
       include 'COMMON.SCCOR' 
+      include 'COMMON.CONTROL'
 c   calculating dE/ddc1     
 C       print *,"wchodze22",ialph(2,1) 
        if (nres.lt.3) go to 18
@@ -275,6 +276,13 @@ c  Settind dE/ddnres
         enddo
        endif
 c   The side-chain vector derivatives
+C      if (SELFGUIDE.gt.0) then
+C      do j=1,3
+C       gcart(j,afmbeg)=gcart(j,afmbeg)+gcart(j,afmend)
+C       gcart(j,afmbeg)=0.0d0
+C       gcart(j,afmend)=0.0d0
+C      enddo
+C      endif
       return
       end