X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fintcartderiv.F;fp=source%2Funres%2Fsrc_MD-M%2Fintcartderiv.F;h=562ea7813bd586a20c78b6bd8681a16d350f4ed4;hb=7308760ff07636ef6b1ee28d8c3a67a23c14b34b;hp=0b75bf0e5e7ff56e8aa35af3560d72485ab93a6a;hpb=9a54ab407f6d0d9d564d52763b3e2136450b9ffc;p=unres.git diff --git a/source/unres/src_MD-M/intcartderiv.F b/source/unres/src_MD-M/intcartderiv.F index 0b75bf0..562ea78 100644 --- a/source/unres/src_MD-M/intcartderiv.F +++ b/source/unres/src_MD-M/intcartderiv.F @@ -163,6 +163,11 @@ c endif 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