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[filename].out
Contains the multiple models written out in PDB format during the LINUS simulation.
COMPND CYCLE 10 ENERGY -3.19346
ATOM 1 CA ACE 1 0.000 0.000 0.000 0.00 0.00
ATOM 2 C ACE 1 1.520 0.000 0.000 0.00 0.00
ATOM 3 O ACE 1 2.144 1.060 0.000 0.00 0.00
ATOM 4 N ALA 2 2.107 -1.193 0.000 0.00 0.00
ATOM 5 CA ALA 2 3.558 -1.332 -0.008 0.00 0.00
ATOM 6 C ALA 2 4.008 -2.722 -0.442 0.00 0.00
ATOM 7 O ALA 2 3.398 -3.727 -0.073 0.00 0.00
ATOM 8 CB ALA 2 4.127 -1.035 1.371 0.00 0.00
ATOM 9 H ALA 2 1.540 -2.013 -0.000 0.00 0.00
ATOM 10 HA ALA 2 3.992 -0.642 -0.718 0.00 0.00
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ATOM 60 N ALA 10 4.846 -13.315 4.332 0.00 0.00
ATOM 61 CA ALA 10 5.345 -14.684 4.343 0.00 0.00
ATOM 62 C ALA 10 6.367 -14.896 5.455 0.00 0.00
ATOM 63 O ALA 10 6.403 -15.951 6.086 0.00 0.00
ATOM 64 CB ALA 10 5.973 -15.030 3.001 0.00 0.00
ATOM 65 H ALA 10 4.897 -12.787 3.489 0.00 0.00
ATOM 66 HA ALA 10 4.535 -15.372 4.534 0.00 0.00
ATOM 67 N NME 11 7.197 -13.884 5.689 0.00 0.00
ATOM 68 CA NME 11 8.222 -13.957 6.724 0.00 0.00
ATOM 69 H NME 11 7.118 -13.055 5.142 0.00 0.00
TER
COMPND CYCLE 20 ENERGY -5.54561
ATOM 1 CA ACE 1 0.000 0.000 0.000 0.00 0.00
ATOM 2 C ACE 1 1.520 0.000 0.000 0.00 0.00
ATOM 3 O ACE 1 2.144 1.060 0.000 0.00 0.00
ATOM 4 N ALA 2 2.107 -1.193 0.000 0.00 0.00
ATOM 5 CA ALA 2 3.558 -1.332 -0.050 0.00 0.00
ATOM 6 C ALA 2 4.136 -0.673 -1.297 0.00 0.00
ATOM 7 O ALA 2 5.137 0.041 -1.227 0.00 0.00
ATOM 8 CB ALA 2 3.950 -2.802 -0.022 0.00 0.00
ATOM 9 H ALA 2 1.540 -2.013 -0.000 0.00 0.00
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