X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.DERIV;h=7688aebb1f08f613914176a473ae8c05bc7888b3;hb=ffd0e6dcc64b1ef30773e02b4ef72c1b2455fea5;hp=524d72af43bebdd197310b2762b1fd34df276a46;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.DERIV b/source/unres/src_MD-M/COMMON.DERIV index 524d72a..7688aeb 100644 --- a/source/unres/src_MD-M/COMMON.DERIV +++ b/source/unres/src_MD-M/COMMON.DERIV @@ -2,14 +2,14 @@ & gvdwpp,gel_loc,gel_loc_long,gvdwc_scpp, & gradx_scp,gvdwc_scp,ghpbx,ghpbc,gloc,gloc_x,dtheta,dphi,dalpha, & domega,gscloc,gsclocx,gradcorr,gradcorr_long,gradcorr5_long, - & gradcorr6_long,gcorr6_turn_long + & gradcorr6_long,gcorr6_turn_long,gvdwx integer nfl,icg common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres), & gradx(3,maxres,2),gradc(3,maxres,2),gvdwx(3,maxres), & gvdwc(3,maxres),gelc(3,maxres),gelc_long(3,maxres), & gvdwpp(3,maxres),gvdwc_scpp(3,maxres), & gradx_scp(3,maxres),gvdwc_scp(3,maxres),ghpbx(3,maxres), - & ghpbc(3,maxres),gloc(maxvar,2),gradcorr(3,maxres), + & ghpbc(3,maxres),gloc(0:maxvar,2),gradcorr(3,maxres), & gradcorr_long(3,maxres),gradcorr5_long(3,maxres), & gradcorr6_long(3,maxres),gcorr6_turn_long(3,maxres), & gradxorr(3,maxres),gradcorr5(3,maxres),gradcorr6(3,maxres),