X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FCOMMON.DERIV;fp=source%2Funres%2Fsrc_MD-M%2FCOMMON.DERIV;h=8082b0a1ddaf63d7dd624eedac53f4e8358f0102;hb=8df996bdc4bc56846b3799e9a2d47c24a9273125;hp=7688aebb1f08f613914176a473ae8c05bc7888b3;hpb=ad2687da4ea0c0ddde6c400a60c4817a689b3dff;p=unres.git

diff --git a/source/unres/src_MD-M/COMMON.DERIV b/source/unres/src_MD-M/COMMON.DERIV
index 7688aeb..8082b0a 100644
--- a/source/unres/src_MD-M/COMMON.DERIV
+++ b/source/unres/src_MD-M/COMMON.DERIV
@@ -1,27 +1,37 @@
-      double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gelc_long,
-     & gvdwpp,gel_loc,gel_loc_long,gvdwc_scpp,
+      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
       integer nfl,icg
       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),gelc_long(3,maxres),
-     & gvdwpp(3,maxres),gvdwc_scpp(3,maxres),
-     & gradx_scp(3,maxres),gvdwc_scp(3,maxres),ghpbx(3,maxres),
-     & ghpbc(3,maxres),gloc(0:maxvar,2),gradcorr(3,maxres),
-     & gradcorr_long(3,maxres),gradcorr5_long(3,maxres),
-     & gradcorr6_long(3,maxres),gcorr6_turn_long(3,maxres),
-     & gradxorr(3,maxres),gradcorr5(3,maxres),gradcorr6(3,maxres),
-     & gloc_x(maxvar,2),gel_loc(3,maxres),gel_loc_long(3,maxres),
-     & gcorr3_turn(3,maxres),
-     & gcorr4_turn(3,maxres),gcorr6_turn(3,maxres),gradb(3,maxres),
-     & gradbx(3,maxres),gel_loc_loc(maxvar),gel_loc_turn3(maxvar),
-     & 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),
-     & dphi(3,3,maxres),dalpha(3,3,maxres),domega(3,3,maxres),nfl,icg
+     & gradx(3,-1:maxres,2),gradc(3,-1:maxres,2),gvdwx(3,-1:maxres),
+     & gvdwc(3,-1:maxres),gelc(3,-1:maxres),gelc_long(3,-1:maxres),
+     & gvdwpp(3,-1:maxres),gvdwc_scpp(3,-1:maxres),
+     & gliptranc(3,-1:maxres),
+     & gliptranx(3,-1:maxres),
+     & gradafm(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),
+     & gradcorr_long(3,-1:maxres),gradcorr5_long(3,-1:maxres),
+     & gradcorr6_long(3,-1:maxres),gcorr6_turn_long(3,-1:maxres),
+     & gradxorr(3,-1:maxres),gradcorr5(3,-1:maxres),
+     & gradcorr6(3,-1:maxres),
+     & gloc_x(maxvar,2),gel_loc(3,-1:maxres),gel_loc_long(3,-1:maxres),
+     & gcorr3_turn(3,-1:maxres),
+     & gcorr4_turn(3,-1:maxres),gcorr6_turn(3,-1:maxres),
+     & gradb(3,-1:maxres),
+     & gradbx(3,-1:maxres),gel_loc_loc(maxvar),gel_loc_turn3(maxvar),
+     & gel_loc_turn4(maxvar),gel_loc_turn6(maxvar),
+     & gcorr_loc(maxvar),
+     & g_corr5_loc(maxvar),g_corr6_loc(maxvar),gsccorc(3,-1:maxres),
+     & gsccorx(3,-1:maxres),gsccor_loc(-1:maxres),
+     & dtheta(3,2,-1:maxres),
+     & gscloc(3,-1:maxres),gsclocx(3,-1:maxres),
+     & dphi(3,3,-1:maxres),dalpha(3,3,-1:maxres),domega(3,3,-1:maxres),
+     & nfl,
+     & icg
       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),