X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.DERIV;h=e4c39c59ae4972200620e926cd968afe6d7948ab;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=2a5ddcf4d5930ab5598cec4d6a903dafb33de42b;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/unres/src_MD/COMMON.DERIV b/source/unres/src_MD/COMMON.DERIV index 2a5ddcf..e4c39c5 100644 --- a/source/unres/src_MD/COMMON.DERIV +++ b/source/unres/src_MD/COMMON.DERIV @@ -2,7 +2,9 @@ & 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,gloc_sc, + & dcostau,dsintau,dtauangle,dcosomicron, + & domicron integer nfl,icg common /derivatT/ gvdwcT(3,maxres),gvdwxT(3,maxres) common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres), @@ -21,7 +23,10 @@ & 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), + & gscloc(3,maxres),gsclocx(3,maxres),gloc_sc(3,0:maxres2,10), + & dcostau(3,3,3,maxres2),dsintau(3,3,3,maxres2), + & dtauangle(3,3,3,maxres2),dcosomicron(3,3,3,maxres2), + & domicron(3,3,3,maxres2), & 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)