X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Finclude_unres%2FCOMMON.DERIV;h=7f8ddfbc0924b988839ea020206c03d589de1ad8;hb=3e42b5f53e0ec03cd03009f3b857931ce7ee25c2;hp=79f8630dfa57f578d0c2f80c9bbde85340510cc9;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git

diff --git a/source/wham/src-M/include_unres/COMMON.DERIV b/source/wham/src-M/include_unres/COMMON.DERIV
index 79f8630..7f8ddfb 100644
--- a/source/wham/src-M/include_unres/COMMON.DERIV
+++ b/source/wham/src-M/include_unres/COMMON.DERIV
@@ -1,15 +1,33 @@
       double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gvdwpp,
      & gradx_scp,gvdwc_scp,ghpbx,ghpbc,gloc,gvdwx,gradcorr,gradxorr,
+     & gliptranc,gliptranx,
      & 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,gshieldx,gradafm,
+     & 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
       logical calc_grad
       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),gvdwpp(3,maxres),
      & gradx_scp(3,maxres),
+     & gliptranc(3,-1:maxres),
+     & gliptranx(3,-1:maxres),
+     & gshieldx(3,-1:maxres), gshieldc(3,-1:maxres),
+     & gshieldc_loc(3,-1:maxres),
+     & gshieldx_ec(3,-1:maxres), gshieldc_ec(3,-1:maxres),
+     & gshieldc_loc_ec(3,-1:maxres),
+     & gshieldx_t3(3,-1:maxres), gshieldc_t3(3,-1:maxres),
+     & gshieldc_loc_t3(3,-1:maxres),
+     & gshieldx_t4(3,-1:maxres), gshieldc_t4(3,-1:maxres),
+     & gshieldc_loc_t4(3,-1:maxres),
+     & gshieldx_ll(3,-1:maxres), gshieldc_ll(3,-1:maxres),
+     & gshieldc_loc_ll(3,-1:maxres),
      & gvdwc_scp(3,maxres),ghpbx(3,maxres),ghpbc(3,maxres),
      & gloc(maxvar,2),gradcorr(3,maxres),gradxorr(3,maxres),
      & gradcorr5(3,maxres),gradcorr6(3,maxres),