X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2F1L2Y_B.inp;h=1d8dabc9d62a7670d60c4fb1e451302be5d68c7e;hb=dd278a04b418a0d8afd009d03dada9d5096c01db;hp=f0ce67af10cea40b445a7fe95541e31f30dc06df;hpb=ffb060c42bc9686cd2ab189e5f1c8fc4f5da25aa;p=unres.git

diff --git a/ctest/1L2Y_B.inp b/ctest/1L2Y_B.inp
index f0ce67a..1d8dabc 100644
--- a/ctest/1L2Y_B.inp
+++ b/ctest/1L2Y_B.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=0 tbf           &
 tau_bath=1.0 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
 22