X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2F1L2Y_NH.inp;h=445363f82cde14e35d8d3187aa8b26882bdaa0af;hb=8d1cbddeeeecb9b627567190827de6762eaa09e9;hp=3a1d388f0c89e80b73c8a56c607e8c1e530ad46c;hpb=40bf66aba1eb110e45e3c01a2001428f6864f300;p=unres.git

diff --git a/ctest/1L2Y_NH.inp b/ctest/1L2Y_NH.inp
index 3a1d388..445363f 100644
--- a/ctest/1L2Y_NH.inp
+++ b/ctest/1L2Y_NH.inp
@@ -3,9 +3,9 @@ SEED=-3059743 PDBREF MD EXTCONF RESCALE_MODE=2 RESPA
 nstep=200000 ntwe=10 ntwx=10000 dt=0.10 damax=10.0 lang=0                      &
 t_bath=300 reset_vel=0 NOSEHOOVER96   Q_NP=1.0
 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