Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / REMD / with_constrains / Berendsen / ff_gab / 1L2Y_REMD.inp

diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD.inp b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD.inp
deleted file mode 100644 (file)
index 8b52a63..0000000
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD.inp
+++ /dev/null
@@ -1,16 +0,0 @@
-1L2Y simulation with restrains in ff_gab Replica Exchange MD simulation
-SEED=-3059743 PDBREF RE PDBSTART RESCALE_MODE=2 CONSTR_DIST=3
-nstep=1000000 ntwe=10000 ntwx=10000 dt=0.20 damax=10.0 lang=0 tbf              &
-tau_bath=1.0 t_bath=300 reset_vel=10000 respa ntime_split=1 maxtime_split=64
-nrep=16 nstex=100000 tlist mlist traj1file rest1file sync nsyn=100000
-  250  260  270  280  290  300  310  320  330  340  350  360  370  380  390  400
-    1    1    1    1    1    1    1    1    1    1    1    1    1    1    1    1  
-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
- 0
- 0
-NFRAG=1 IFRAG=2 10 WFRAG=0.05
\ No newline at end of file