ctest 1l2y_micro.inp dt=0.008

diff --git a/ctest/1l2y_micro.inp b/ctest/1l2y_micro.inp
index c0c545c..e9f27c8 100644 (file)
--- a/ctest/1l2y_micro.inp
+++ b/ctest/1l2y_micro.inp
@@ -1,6 +1,6 @@
 1L2Y microcanonical simulation with VTS algorithm in ff_1l2y
 SEED=-3059743 PDBREF MD RESCALE_MODE=2
-nstep=100000  ntwe=1000   ntwx=10000  dt=0.01 damax=20.0 dvmax=20.0 lang=0     &
+nstep=100000  ntwe=1000   ntwx=10000  dt=0.008 damax=20.0 dvmax=20.0 lang=0    &
 t_bath=300 reset_vel=0 PRINT_COMPON
 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
 WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &