+++ /dev/null
-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
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