X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Finclude_unres%2FCOMMON.DERIV;h=596a365bfcc79f711cf339b3639b67d0a2806dc5;hb=47afbd51a2fba288cfba94f44b53f10f835c1f79;hp=79f8630dfa57f578d0c2f80c9bbde85340510cc9;hpb=24bbf0f3f06452c69bf4b69b4a9ba620e0260d7b;p=unres.git diff --git a/source/cluster/wham/src/include_unres/COMMON.DERIV b/source/cluster/wham/src/include_unres/COMMON.DERIV index 79f8630..596a365 100644 --- a/source/cluster/wham/src/include_unres/COMMON.DERIV +++ b/source/cluster/wham/src/include_unres/COMMON.DERIV @@ -3,7 +3,7 @@ & gradcorr5,gradcorr6,gel_loc,gcorr3_turn,gcorr4_turn,gcorr6_turn, & gel_loc_loc,gel_loc_turn3,gel_loc_turn4,gel_loc_turn6,gcorr_loc, & g_corr5_loc,g_corr6_loc,gradb,gradbx,gsccorc,gsccorx,gsccor_loc, - & gscloc,gsclocx + & gscloc,gsclocx,gdfad,gdfat,gdfan,gdfab integer nfl,icg logical calc_grad common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres), @@ -19,7 +19,9 @@ & gel_loc_turn6(maxvar),gcorr_loc(maxvar), & g_corr5_loc(maxvar),g_corr6_loc(maxvar),gsccorc(3,maxres), & gsccorx(3,maxres),gsccor_loc(maxres), - & gscloc(3,maxres),gsclocx(3,maxres),nfl,icg,calc_grad + & gscloc(3,maxres),gsclocx(3,maxres), + & gdfad(3,maxres),gdfat(3,maxres),gdfan(3,maxres),gdfab(3,maxres), + & nfl,icg,calc_grad 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),