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ctest dock read_minim_par
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 17 Mar 2020 07:42:10 +0000 (08:42 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 17 Mar 2020 07:42:10 +0000 (08:42 +0100)
ctest/dock/2WFU_dock.inp patch | blob | history

diff --git a/ctest/dock/2WFU_dock.inp b/ctest/dock/2WFU_dock.inp
index 9f01a03..ea9c4de 100644 (file)
--- a/ctest/dock/2WFU_dock.inp
+++ b/ctest/dock/2WFU_dock.inp
@@ -2,7 +2,7 @@
 SEED=-77763650 pdbstart re one_letter BOXX=78.90                               &
 BOXY=78.90 BOXZ=78.90 CONSTR_HOMOL=8 pdbref
         reset_vel=1000 nstep=200000 ntwe=1000 ntwx=1000 dt=0.2 lang=1          &
-scal_fric=0.02 preminim cart
+scal_fric=0.02 preminim cart read_minim_par
 print_min_ini print_min_res print_min_stat maxfun=15000
 nrep=8 nstex=1000 tlist mlist sync nsyn=1000 traj1file  rest1file              &
 TRAJCACHE=200
UNRESPACK 3.x