X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fintcartderiv.F;h=d029e187e50aad9d0065803cb3ae7389d723c707;hb=3f9890a5f4173b1781f1b8b3cdb0145d7455cfde;hp=c7cf95cc8aed9bee75b3a4e54c222eab56167d42;hpb=cc980c20ed89622e129591e212a044280de43b9f;p=unres.git

diff --git a/source/unres/src_MD/intcartderiv.F b/source/unres/src_MD/intcartderiv.F
index c7cf95c..d029e18 100644
--- a/source/unres/src_MD/intcartderiv.F
+++ b/source/unres/src_MD/intcartderiv.F
@@ -149,10 +149,11 @@ c   Obtaining the gamma derivatives from cosine derivative
 
 Calculate derivative of Tauangle
 #ifdef PARINTDER
-      do i=iphi1_start,iphi1_end
+      do i=iphi1_start-1,iphi1_end
 #else
-      do i=4,nres
+      do i=3,nres
 #endif
+cc dtauangle(j,intertyp,dervityp,residue number)
 cc INTERTYP=1 SC...Ca...Ca..Ca
 c the conventional case
         sint=dsin(theta(i))
@@ -285,9 +286,9 @@ c   Obtaining the gamma derivatives from cosine derivative
 CCC third case SC...Ca...Ca...SC
 #ifdef PARINTDER
 
-      do i=iphi1_start,iphi1_end
+      do i=iphi1_start-1,iphi1_end
 #else
-      do i=4,nres
+      do i=3,nres
 #endif
 c the conventional case
         sint=dsin(omicron(1,i))