X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fint_to_cart.f;h=d3a8a92b076f8f57b55eba2f9e339d4765e8b3b9;hb=5ba2a6014fbd859202ed28885b66520ac09bb77d;hp=106458ecf56ce4d64d94a2ad8d7174489266cd73;hpb=f038962fbb96e0c2c6f1ccb910373ceddd5b387b;p=unres.git diff --git a/source/unres/src_MD-M/int_to_cart.f b/source/unres/src_MD-M/int_to_cart.f index 106458e..d3a8a92 100644 --- a/source/unres/src_MD-M/int_to_cart.f +++ b/source/unres/src_MD-M/int_to_cart.f @@ -276,13 +276,13 @@ c Settind dE/ddnres enddo endif c The side-chain vector derivatives - if (SELFGUIDE.gt.0) then - do j=1,3 +C if (SELFGUIDE.gt.0) then +C do j=1,3 C gcart(j,afmbeg)=gcart(j,afmbeg)+gcart(j,afmend) - gcart(j,afmbeg)=0.0d0 - gcart(j,afmend)=0.0d0 - enddo - endif +C gcart(j,afmbeg)=0.0d0 +C gcart(j,afmend)=0.0d0 +C enddo +C endif return end