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UNRES-Dock example output
[unres.git]
/
examples
/
UNRES-Dock
/
wham_example.inp
diff --git
a/examples/UNRES-Dock/wham_example.inp
b/examples/UNRES-Dock/wham_example.inp
index
e311d22
..
0394217
100644
(file)
--- a/
examples/UNRES-Dock/wham_example.inp
+++ b/
examples/UNRES-Dock/wham_example.inp
@@
-60,6
+60,6
@@
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=50 rec_end=100 totraj=12
-./dimer_MD000
+nfile_cx=1 rec_start=BBB rec_end=CCC totraj=24
+./unres_dock_MD000