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UNRES-Dock example update
[unres.git]
/
examples
/
UNRES-Dock
/
output
/
wham.inp
diff --git
a/examples/UNRES-Dock/output/wham.inp
b/examples/UNRES-Dock/output/wham.inp
index
c5882c5
..
fedd1ff
100644
(file)
--- a/
examples/UNRES-Dock/output/wham.inp
+++ b/
examples/UNRES-Dock/output/wham.inp
@@
-64,6
+64,6
@@
NR=1 TEMP= 360.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
KH= 0.00 Q0=0.00000
NR=1 TEMP= 370.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
KH= 0.00 Q0=0.00000
-nfile_cx=1 rec_start=10 rec_end=20 totraj=24
+nfile_cx=1 rec_start=10 rec_end=200 totraj=24
./unres_dock_MD000