X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.DERIV;h=ba3f6c5ea0f3821eb400b0005a74f18893fbb6e1;hb=0c5fb524ca994d617a32adfb678302e2f3dcef1e;hp=d7c98bd3a230c2e39475c0d4133956e74e6b02af;hpb=c6335222f02abf32e0cc697ec8a4666c754655b9;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.DERIV b/source/unres/src_MD-M/COMMON.DERIV index d7c98bd..ba3f6c5 100644 --- a/source/unres/src_MD-M/COMMON.DERIV +++ b/source/unres/src_MD-M/COMMON.DERIV @@ -1,5 +1,5 @@ - double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gelc_long, - & gvdwpp,gel_loc,gel_loc_long,gvdwc_scpp, + double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gelc_long + & gvdwpp,gel_loc,gel_loc_long,gvdwc_scpp,gliptranc,gliptranx, & 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,gvdwx @@ -7,7 +7,8 @@ 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), + & gvdwpp(3,maxres),gvdwc_scpp(3,maxres),gliptranc(3,maxres), + & gliptranx(3,maxres), & gradx_scp(3,maxres),gvdwc_scp(3,maxres),ghpbx(3,maxres), & ghpbc(3,maxres),gloc(maxvar,2),gradcorr(3,maxres), & gradcorr_long(3,maxres),gradcorr5_long(3,maxres), @@ -15,13 +16,15 @@ & gradxorr(3,maxres),gradcorr5(3,maxres),gradcorr6(3,maxres), & gloc_x(maxvar,2),gel_loc(3,maxres),gel_loc_long(3,maxres), & gcorr3_turn(3,maxres), - & gcorr4_turn(3,maxres),gcorr6_turn(3,maxres),gradb(3,maxres), + &gcorr4_turn(3,maxres),gcorr6_turn(3,maxres),gradb(3,maxres), & gradbx(3,maxres),gel_loc_loc(maxvar),gel_loc_turn3(maxvar), - & gel_loc_turn4(maxvar),gel_loc_turn6(maxvar),gcorr_loc(maxvar), + & gel_loc_turn4(maxvar),gel_loc_turn6(maxvar), + & gcorr_loc(maxvar), & g_corr5_loc(maxvar),g_corr6_loc(maxvar),gsccorc(3,maxres), & gsccorx(3,maxres),gsccor_loc(maxres),dtheta(3,2,maxres), & gscloc(3,maxres),gsclocx(3,maxres), - & dphi(3,3,maxres),dalpha(3,3,maxres),domega(3,3,maxres),nfl,icg + & dphi(3,3,maxres),dalpha(3,3,maxres),domega(3,3,maxres),nfl, + & icg double precision derx,derx_turn common /deriv_loc/ derx(3,5,2),derx_turn(3,5,2) double precision dXX_C1tab(3,maxres),dYY_C1tab(3,maxres),