+++ /dev/null
-2xAla10
-SEED=-3059743 MD PDBOUT
-nstep=100000 ntwx=100 ntwe=10 dt=0.10 lang=0 tbf=1 tau_bath=1.0 t_bath=298 &
-MDPDB
-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 WSCCOR=0.00000 &
-CUTOFF=7.00000 WCORR4=0.00000
-23
- D Ala Ala Ala Ala Ala Ala Ala Ala Ala Ala D Ala Ala Ala Ala Ala Ala Ala Ala
- Ala Ala D
- 0
- 0
- 104.9286 87.6954 81.9040 82.4664 84.4658 83.9446 85.3958 91.4490
- 94.6016 101.8618 119.3634 94.3628 96.2641 138.1186 96.2995 129.7022
- 109.4446 106.3486 106.0416 108.7182 110.0000
- -100.4302 72.4264 66.0265 51.4337 53.5083 60.5686 44.1766 67.6037
- -72.8136 -61.9155 -75.8939 67.3579 129.7011 -95.5708 63.9717 -74.5043
- -122.3059 -134.6048 92.1133 60.0000
- 102.3561 120.0919 152.3636 134.9756 122.3426 152.1780 159.0518 100.5580
- 139.9612 120.0000 120.0000 117.4525 137.0250 146.2899 120.0000 93.9014
- 101.0251 113.0432 93.7775 153.8351 150.0000
- -82.3166 -56.6854 85.0901 -88.6662 -140.9453 38.0240 179.4707 -73.0903
- -144.7967 -120.0000 -1200000 -133.1635 -106.6593 -130.3055 -120.0000 -102.7467
- -111.6412 -122.0445 -102.3738 -143.3033 -110.0000
-0 0 0 0 0 0
-0 0 0 0