introduce lipid good grad wrong symplex

[unres.git] / source / unres / src_MD-M / COMMON.DERIV

diff --git a/source/unres/src_MD-M/COMMON.DERIV b/source/unres/src_MD-M/COMMON.DERIV
index ba3f6c5..6a5e74d 100644 (file)
--- a/source/unres/src_MD-M/COMMON.DERIV
+++ b/source/unres/src_MD-M/COMMON.DERIV
@@ -5,25 +5,31 @@
      & 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),gliptranc(3,maxres),
-     & gliptranx(3,maxres),
-     & gradx_scp(3,maxres),gvdwc_scp(3,maxres),ghpbx(3,maxres),
-     & ghpbc(3,maxres),gloc(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),
+     & 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),
+     & 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,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,
+     & 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)