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