X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.DERIV;h=67ebfdca563a877fa8b2f45a881788654ec1b83d;hb=1d656a815651f26cc5ccb9ccf24d66cbbae2a048;hp=2a5ddcf4d5930ab5598cec4d6a903dafb33de42b;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_MD/COMMON.DERIV b/source/unres/src_MD/COMMON.DERIV index 2a5ddcf..67ebfdc 100644 --- a/source/unres/src_MD/COMMON.DERIV +++ b/source/unres/src_MD/COMMON.DERIV @@ -2,7 +2,7 @@ & 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,gvdwcT,gvdwxT + & gradcorr6_long,gcorr6_turn_long,gvdwcT,gvdwxT,gvdwx integer nfl,icg common /derivatT/ gvdwcT(3,maxres),gvdwxT(3,maxres) common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres), @@ -22,7 +22,8 @@ & 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, + & gdfad(3,maxres),gdfat(3,maxres),gdfan(3,maxres),gdfab(3,maxres) 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),