[filename].out
Contains the multiple models written out in PDB format during the LINUS simulation.
COMPND CYCLE 100 ENERGY -1.46288
ATOM 1 N ALA 1 0.000 0.000 0.000 0.00 0.00
ATOM 2 CA ALA 1 1.458 0.000 0.000 0.00 0.00
ATOM 3 C ALA 1 1.972 1.436 0.000 0.00 0.00
ATOM 4 O ALA 1 1.226 2.373 -0.282 0.00 0.00
ATOM 5 CB ALA 1 1.988 -0.755 -1.209 0.00 0.00
ATOM 6 N ALA 2 3.254 1.600 0.316 0.00 0.00
ATOM 7 CA ALA 2 3.850 2.925 0.433 0.00 0.00
ATOM 8 C ALA 2 3.935 3.637 -0.913 0.00 0.00
ATOM 9 O ALA 2 4.391 3.063 -1.901 0.00 0.00
ATOM 10 CB ALA 2 5.242 2.828 1.037 0.00 0.00
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ATOM 41 N ALA 9 2.472 6.746 -11.883 0.00 0.00
ATOM 42 CA ALA 9 3.379 7.356 -12.849 0.00 0.00
ATOM 43 C ALA 9 4.147 6.312 -13.652 0.00 0.00
ATOM 44 O ALA 9 4.214 6.385 -14.880 0.00 0.00
ATOM 45 CB ALA 9 4.366 8.273 -12.142 0.00 0.00
TER
COMPND CYCLE 200 ENERGY -1.72498
ATOM 1 N ALA 1 0.000 0.000 0.000 0.00 0.00
ATOM 2 CA ALA 1 1.458 0.000 0.000 0.00 0.00
ATOM 3 C ALA 1 2.025 1.416 0.000 0.00 0.00
ATOM 4 O ALA 1 3.123 1.656 0.503 0.00 0.00
ATOM 5 CB ALA 1 1.988 -0.755 -1.209 0.00 0.00
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