X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fgradient_p.F;h=a29f83a0965f408e04aef843e4de8f43cac5db3c;hb=26591bffd0d706caeed1e3b49f76215dc2411363;hp=dd59b314e74c2efdba49dcc060719180d808999f;hpb=aa4540154949fdfc9ab63442eb6fea09d6c589ad;p=unres.git diff --git a/source/unres/src_MD/gradient_p.F b/source/unres/src_MD/gradient_p.F index dd59b31..a29f83a 100644 --- a/source/unres/src_MD/gradient_p.F +++ b/source/unres/src_MD/gradient_p.F @@ -428,6 +428,12 @@ C do intertyp=1,3 gloc_sc(intertyp,i,icg)=0.0d0 enddo +#ifndef DFA + gdfad(j,i)=0.0d0 + gdfat(j,i)=0.0d0 + gdfan(j,i)=0.0d0 + gdfab(j,i)=0.0d0 +#endif enddo enddo c