X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fgradient_p.F;h=2c670f2539f0698e2eb739f9deb9205ba443dbc7;hb=29a093f001749a47ac4054191a494bdc35178a39;hp=effd95519f12e6f3e3ad64c5241e806a6c059d2e;hpb=87da0be288cd36196a3546e3da22e10a78064de4;p=unres.git diff --git a/source/unres/src_MD-M/gradient_p.F b/source/unres/src_MD-M/gradient_p.F index effd955..2c670f2 100644 --- a/source/unres/src_MD-M/gradient_p.F +++ b/source/unres/src_MD-M/gradient_p.F @@ -345,6 +345,7 @@ C------------------------------------------------------------------------- include 'COMMON.CHAIN' include 'COMMON.VAR' include 'COMMON.MD' + include 'COMMON.SCCOR' C C Initialize Cartesian-coordinate gradient C @@ -380,6 +381,9 @@ C gradx(j,i,icg)=0.0d0 gscloc(j,i)=0.0d0 gsclocx(j,i)=0.0d0 + do intertyp=1,3 + gloc_sc(intertyp,i,icg)=0.0d0 + enddo enddo enddo C