respa cleaning (my bug) and shielding MPI and previous bug cleaning

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

diff --git a/source/unres/src_MD-M/COMMON.SHIELD b/source/unres/src_MD-M/COMMON.SHIELD
index 56a1c71..6cbf5a8 100644 (file)
--- a/source/unres/src_MD-M/COMMON.SHIELD
+++ b/source/unres/src_MD-M/COMMON.SHIELD
@@ -1,14 +1,15 @@
        double precision VSolvSphere,VSolvSphere_div,long_r_sidechain,
      & short_r_sidechain,fac_shield,grad_shield_side,grad_shield,
-     & buff_shield            
+     & buff_shield,wshield            
        integer  ishield_list,shield_list,ees0plist
        common /shield/ VSolvSphere,VSolvSphere_div,buff_shield,
      & long_r_sidechain(ntyp),
-     & short_r_sidechain(ntyp),fac_shield(maxres),
-     & grad_shield_side(3,maxcont,-1:maxres),grad_shield(3,-1:maxres),
-     &  grad_shield_loc(3,maxcont,-1:maxres),
-     & ishield_list(maxres),shield_list(maxcont,maxres),
-     & ees0plist(maxcont,maxres)
+     & short_r_sidechain(ntyp),fac_shield(maxres),wshield,
+     & grad_shield_side(3,maxcontsshi,-1:maxres),
+     &  grad_shield(3,-1:maxres),
+     &  grad_shield_loc(3,maxcontsshi,-1:maxres),
+     & ishield_list(maxres),shield_list(maxcontsshi,maxres),
+     & ees0plist(maxconts,maxres)