X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FVTS%2Fff_gab%2F1L2Y_micro.inp;h=e9ea14fbdd4f2af06f729e85d78803f752c68e91;hb=d5f5162b182a8b2f7a40d50b6877beb2a52297bc;hp=f62cd5565b157b8d8ed8fdaf67fbbcf2ec605ec6;hpb=0159dffb0c6ab8021f45dc01794d77b091499a4d;p=unres.git

diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.inp b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.inp
index f62cd55..e9ea14f 100644
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.inp
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro.inp
@@ -1,15 +1,12 @@
 1L2Y microcanonical simulation with VTS algorithm in ff_gab
-SEED=-3059743 PDBREF MD EXTCONF RESCALE_MODE=2
-nstep=1000000 ntwe=10000 ntwx=10000 dt=0.10 damax=10.0 lang=0                  &
-tau_bath=1.0 t_bath=300 reset_vel=0 respa ntime_split=1 maxtime_split=128
+SEED=-3059743 PDBSTART PDBREF MD RESCALE_MODE=2
+nstep=1000000  ntwe=10000 ntwx=10000  dt=0.01 damax=20.0 dvmax=20.0 lang=0     &
+t_bath=300 reset_vel=0
 WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
 WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
 WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
 WVDWPP=0.11371 WHPB=1.00000                                                    &
 CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0
 ../../../1L2Y.pdb
-22
- D   ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER SER GLY ARG PRO PRO PRO
- SER D  
  0
  0