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ctest dock cluster
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 17 Mar 2020 23:56:00 +0000 (00:56 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 17 Mar 2020 23:56:00 +0000 (00:56 +0100)
ctest/dock/cluster.inp patch | blob | history

diff --git a/ctest/dock/cluster.inp b/ctest/dock/cluster.inp
index 4434d1e..240ab1c 100644 (file)
--- a/ctest/dock/cluster.inp
+++ b/ctest/dock/cluster.inp
@@ -1,5 +1,5 @@
 2wfu UNRES-Dock 
-nres=49 one_letter rescale=2 PRINT_CART PDBOUT=1 iopt=1 temper=280.0           &
+nres=49 one_letter rescale=2 PRINT_CART PDBOUT=1 iopt=1 temper=280.0  ncut=0   &
  CONSTR_HOMOL=8                                                                &
 BOXX=78.90 BOXY=78.90 BOXZ=78.90
 WSC=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954              &
UNRESPACK 3.x