--- /dev/null
+1L2Y microcanonical simulation with VTS algorithm in ff_1l2y
+SEED=-3059743 PDBREF MD RESCALE_MODE=2
+nstep=100000 ntwe=1000 ntwx=10000 dt=0.01 damax=20.0 dvmax=20.0 lang=0 &
+t_bath=300 reset_vel=0 PRINT_COMPON
+WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954 &
+WSCLOC=0.10554 WTOR=1.34316 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=0.25 &
+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
+ 123.3156 86.6740 84.7116 86.7723 88.3113 88.7783 87.9593 91.8650
+ 85.6691 96.8119 120.2171 94.5567 89.7129 90.0127 87.8886 139.9802
+ 115.3568 105.7843 110.2352 142.9354
+ -81.2685 64.8566 59.2424 47.3521 48.5272 53.2835 44.9630 77.3277
+ -75.8230 -54.9973 -61.4804 60.8916 144.3285 -69.8206 63.7254 -74.1345
+ -109.8218 -138.6153 60.9332
+ 94.7900 118.7380 156.8878 142.9433 120.6781 155.4634 142.9074 127.2232
+ 140.8296 0.0000 0.0000 117.8482 136.4043 128.3119 0.0000 105.0494
+ 112.4179 114.3846 93.1584 154.6625
+ -84.6887 -57.0623 80.4447 -89.8194 -133.2169 45.2658 -157.8500 -142.4471
+ -141.1460 180.0000 180.0000 -131.6010 -105.7006 -120.1868 180.0000 -109.0446
+ -121.4661 -122.3572 -101.8309 -130.6995