Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / REMD / Nose-Hoover / ff_1l2y / 1L2Y_REMD.inp

diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/1L2Y_REMD.inp b/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/1L2Y_REMD.inp
deleted file mode 100644 (file)
index eaa0b1b..0000000
--- a/examples/unres/new/REMD/Nose-Hoover/ff_1l2y/1L2Y_REMD.inp
+++ /dev/null
@@ -1,19 +0,0 @@
-1L2Y with Nose-Hoover thermostat in ff_1l2y Replica Exchange MD simulation
-SEED=-3059743 PDBREF RE EXTCONF RESCALE_MODE=2 RESPA
-nstep=1000000 ntwe=10000 ntwx=10000 dt=0.10 damax=10.0 lang=0 XIRESP           &
-t_bath=300 reset_vel=10000 respa ntime_split=1 maxtime_split=64 NOSEHOOVER96   &
-Q_NP=1.0
-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=1.00000 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        &
-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                                         &
-CUTOFF=7.00000 WCORR4=0.00000
-../../../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