X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fgradient_p.F;h=9b1856f4e4d6af0f18754fe87cd844a1533e8c45;hb=d7d33ac73e7386cf74bb07da09b67fa6619a0b11;hp=2c670f2539f0698e2eb739f9deb9205ba443dbc7;hpb=0c5fb524ca994d617a32adfb678302e2f3dcef1e;p=unres.git

diff --git a/source/unres/src_MD-M/gradient_p.F b/source/unres/src_MD-M/gradient_p.F
index 2c670f2..9b1856f 100644
--- a/source/unres/src_MD-M/gradient_p.F
+++ b/source/unres/src_MD-M/gradient_p.F
@@ -308,7 +308,7 @@ cd      write(iout,*) 'calling int_to_cart'
 #ifdef DEBUG
       write (iout,*) "gcart, gxcart, gloc before int_to_cart"
 #endif
-      do i=1,nct
+      do i=0,nct
         do j=1,3
           gcart(j,i)=gradc(j,i,icg)
           gxcart(j,i)=gradx(j,i,icg)
@@ -349,7 +349,7 @@ C-------------------------------------------------------------------------
 C
 C Initialize Cartesian-coordinate gradient
 C
-      do i=1,nres
+      do i=-1,nres
 	do j=1,3
 	  gvdwx(j,i)=0.0D0
           gradx_scp(j,i)=0.0D0