poprawka w intcartderiv
authorAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Mon, 13 Apr 2015 15:12:45 +0000 (17:12 +0200)
committerAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Mon, 13 Apr 2015 15:12:45 +0000 (17:12 +0200)
source/unres/src_MD-M/intcartderiv.F

index 369a4f0..5aee57e 100644 (file)
@@ -160,6 +160,11 @@ c   Obtaining the gamma derivatives from cosine derivative
         endif                                                                                           
       enddo
 Calculate derivative of Tauangle
+      do i=1,nres-1
+       do j=1,3
+        dc_norm2(j,i+nres)=-dc_norm(j,i+nres)
+       enddo
+      enddo
 #ifdef PARINTDER
       do i=itau_start,itau_end
 #else