zmienionwe zostaly i zostal chyba tylko int to cart deriv

[unres.git] / source / unres / src_MD / intcartderiv.F

diff --git a/source/unres/src_MD/intcartderiv.F b/source/unres/src_MD/intcartderiv.F
index c7cf95c..d029e18 100644 (file)
--- 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))