X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FREMD%2FLangevin%2Fff_1l2y%2F1L2Y_REMD.inp;fp=examples%2Funres%2Fnew%2FREMD%2FLangevin%2Fff_1l2y%2F1L2Y_REMD.inp;h=0000000000000000000000000000000000000000;hp=443c8df5f6a9e62912b2305ba06cc98c5fd00a93;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30

diff --git a/examples/unres/new/REMD/Langevin/ff_1l2y/1L2Y_REMD.inp b/examples/unres/new/REMD/Langevin/ff_1l2y/1L2Y_REMD.inp
deleted file mode 100644
index 443c8df..0000000
--- a/examples/unres/new/REMD/Langevin/ff_1l2y/1L2Y_REMD.inp
+++ /dev/null
@@ -1,18 +0,0 @@
-1L2Y with Langevin thermostat in ff_1l2y Replica Exchange MD simulation
-SEED=-3059743 PDBREF RE EXTCONF RESCALE_MODE=2 RESPA
-nstep=1000000 ntwe=10000 ntwx=10000 dt=0.20 damax=10.0 lang=1                  &
-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=1.00000 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