X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.DERIV;h=732f6bb29e1c1bf5f45387a9fb16c9faaff2d712;hb=7d64cc3ff0edffb6aa37e309e4375f58bd5875a2;hp=9b3b08102542adf211ee61ae4c6e5b9cb41da237;hpb=9111b59335b350bc16fcac69159ec3d3cbb62ba4;p=unres.git diff --git a/source/unres/src_MD-M/COMMON.DERIV b/source/unres/src_MD-M/COMMON.DERIV index 9b3b081..732f6bb 100644 --- a/source/unres/src_MD-M/COMMON.DERIV +++ b/source/unres/src_MD-M/COMMON.DERIV @@ -1,8 +1,13 @@ - double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gelc_long + 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,gshieldx + & gradcorr6_long,gcorr6_turn_long,gvdwx,gshieldx,gradafm, + & gg_tube,gg_tube_SC, + & gshieldc, gshieldc_loc, gshieldx_ec, gshieldc_ec, + & gshieldc_loc_ec, gshieldx_t3,gshieldc_t3,gshieldc_loc_t3, + & gshieldx_t4, gshieldc_t4,gshieldc_loc_t4,gshieldx_ll, + & gshieldc_ll, gshieldc_loc_ll integer nfl,icg common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres), & gradx(3,-1:maxres,2),gradc(3,-1:maxres,2),gvdwx(3,-1:maxres), @@ -20,7 +25,8 @@ & gshieldc_loc_t4(3,-1:maxres), & gshieldx_ll(3,-1:maxres), gshieldc_ll(3,-1:maxres), & gshieldc_loc_ll(3,-1:maxres), - & gradafm(3,-1:maxres), + & gradafm(3,-1:maxres),gg_tube(3,-1:maxres), + & gg_tube_sc(3,-1:maxres), & gradx_scp(3,-1:maxres),gvdwc_scp(3,-1:maxres), & ghpbx(3,-1:maxres), & ghpbc(3,-1:maxres),gloc(maxvar,2),gradcorr(3,-1:maxres),