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Shielding part 2
[unres.git]
/
source
/
wham
/
src-M
/
COMMON.CHAIN
diff --git
a/source/wham/src-M/COMMON.CHAIN
b/source/wham/src-M/COMMON.CHAIN
index
8dcdd98
..
b147f08
100644
(file)
--- a/
source/wham/src-M/COMMON.CHAIN
+++ b/
source/wham/src-M/COMMON.CHAIN
@@
-12,3
+12,7
@@
&nsup,nstart_sup,anatemp,
&nend_sup,chain_length,tabperm(maxperm,maxsym),nperm,
& nstart_seq,ishift_pdb
+ double precision boxxsize,boxysize,boxzsize,enecut,sscut,sss,
+ &sssgrad
+ common /box/ boxxsize,boxysize,boxzsize,enecut,sscut,sss,sssgrad
+