2 SEED=-3059743 MD PDBOUT
3 nstep=100000 ntwx=100 ntwe=10 dt=0.10 lang=0 tbf=1 tau_bath=1.0 t_bath=298 &
5 WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873 &
6 WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000 &
7 WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000 &
8 WVDWPP=0.11371 WHPB=1.00000 WSCCOR=0.00000 &
9 CUTOFF=7.00000 WCORR4=0.00000
11 D Ala Ala Ala Ala Ala Ala Ala Ala Ala Ala D Ala Ala Ala Ala Ala Ala Ala Ala
15 104.9286 87.6954 81.9040 82.4664 84.4658 83.9446 85.3958 91.4490
16 94.6016 101.8618 119.3634 94.3628 96.2641 138.1186 96.2995 129.7022
17 109.4446 106.3486 106.0416 108.7182 110.0000
18 -100.4302 72.4264 66.0265 51.4337 53.5083 60.5686 44.1766 67.6037
19 -72.8136 -61.9155 -75.8939 67.3579 129.7011 -95.5708 63.9717 -74.5043
20 -122.3059 -134.6048 92.1133 60.0000
21 102.3561 120.0919 152.3636 134.9756 122.3426 152.1780 159.0518 100.5580
22 139.9612 120.0000 120.0000 117.4525 137.0250 146.2899 120.0000 93.9014
23 101.0251 113.0432 93.7775 153.8351 150.0000
24 -82.3166 -56.6854 85.0901 -88.6662 -140.9453 38.0240 179.4707 -73.0903
25 -144.7967 -120.0000 -1200000 -133.1635 -106.6593 -130.3055 -120.0000 -102.7467
26 -111.6412 -122.0445 -102.3738 -143.3033 -110.0000