X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fintcartderiv.F;h=5aee57e2822047f4aa5aac29ce99403d7782e57a;hb=fd89d03f2d7e198b2a1f7507fc6bdeb39509055c;hp=369a4f06a6476804c45f521da4cb797bde84313f;hpb=b9025a366733ac0290debbd52ede3527d29c9ed5;p=unres.git diff --git a/source/unres/src_MD-M/intcartderiv.F b/source/unres/src_MD-M/intcartderiv.F index 369a4f0..5aee57e 100644 --- a/source/unres/src_MD-M/intcartderiv.F +++ b/source/unres/src_MD-M/intcartderiv.F @@ -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