introduction of infinite cylinder potential - currently without PBC

[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 17e3184..a830225 100644 (file)
--- a/source/unres/src_MD-M/COMMON.DERIV
+++ b/source/unres/src_MD-M/COMMON.DERIV
@@ -2,7 +2,12 @@
      & 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),
@@ -10,10 +15,18 @@
      & gvdwpp(3,-1:maxres),gvdwc_scpp(3,-1:maxres),
      & gliptranc(3,-1:maxres),
      & gliptranx(3,-1:maxres),
-     & gshieldx(3,-1:maxres),
-     & gshieldc(3,-1:maxres),
+     & gshieldx(3,-1:maxres), gshieldc(3,-1:maxres),
      & gshieldc_loc(3,-1:maxres),
-     & gradafm(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),
+     & 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),