ctest wsccor 0.25 wtor 1.34316 in all tests

[unres.git] / ctest / 1L2Y_L.inp

diff --git a/ctest/1L2Y_L.inp b/ctest/1L2Y_L.inp
index 93f634f..cc1c271 100644 (file)
--- a/ctest/1L2Y_L.inp
+++ b/ctest/1L2Y_L.inp
@@ -3,9 +3,9 @@ SEED=-3059743 PDBREF MD EXTCONF RESCALE_MODE=2 RESPA
 nstep=200000 ntwe=10  ntwx=10000 dt=0.20 damax=10.0 lang=1                     &
 t_bath=300 reset_vel=0 respa ntime_split=1 maxtime_split=512
 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
-WSCLOC=0.10554 WTOR=1.84316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
+WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
-WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.0                                         &
+WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25                                        &
 CUTOFF=7.00000 WCORR4=0.00000
 1L2Y.pdb
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