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Fixed eello5, eello6, eturn6, and shortrange RESPA
[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
7974844
..
65d7891
100644
(file)
--- a/
source/unres/src_MD-M/COMMON.SHIELD
+++ b/
source/unres/src_MD-M/COMMON.SHIELD
@@
-1,9
+1,12
@@
double precision VSolvSphere,VSolvSphere_div,long_r_sidechain,
double precision VSolvSphere,VSolvSphere_div,long_r_sidechain,
- & short_r_sidechain,fac_shield
+ & short_r_sidechain,fac_shield,grad_shield_side,grad_shield,
+ & buff_shield
integer ishield_list,shield_list
integer ishield_list,shield_list
- common /shield/ VSolvSphere,VSolvSphere_div,
+ common /shield/ VSolvSphere,VSolvSphere_div,buff_shield,
& long_r_sidechain(ntyp),
& short_r_sidechain(ntyp),fac_shield(maxres),
& long_r_sidechain(ntyp),
& short_r_sidechain(ntyp),fac_shield(maxres),
- & ishield_list(maxres),shield_list(maxres)
+ & grad_shield_side(3,15,-1:maxres),grad_shield(3,-1:maxres),
+ & grad_shield_loc(3,15,-1:maxres),
+ & ishield_list(maxres),shield_list(15,maxres)