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ctest dock wham and old source rm
[unres.git]
/
ctest
/
dock
/
wham.inp
diff --git
a/ctest/dock/wham.inp
b/ctest/dock/wham.inp
index
1b83d17
..
40431b1
100644
(file)
--- a/
ctest/dock/wham.inp
+++ b/
ctest/dock/wham.inp
@@
-1,6
+1,6
@@
isampl=1 &
SEED=-77763650 einicheck=1 rescale=2 delta=0.02 cxfile classify &
- n_ene=19 CONSTR_HOMOL=8 &
+ CONSTR_HOMOL=8 &
BOXX=78.90 BOXY=78.90 BOXZ=78.90
nres=49 one_letter
GVVDSCCRNSCSFSTLRAYCDSXXNSLRACGPALMDMLRVACPNGFNSX