17 lines
775 B
Plaintext
17 lines
775 B
Plaintext
Tinker is a set of small programs for doing general purpose molecular
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modeling calculations. Tools are included for energy minimizations,
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geometry calculations, simulated annealing, molecular dynamics, and
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molecular analysis calculations. Tools for converting coordinate sets
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are also provided. Tinker employs several force fields and minimization
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techniques.
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This port sets the maxatm value to 2500 atoms. This should be
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sufficient for most molecular systems. Should you need to work with
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larger systems you can set the maxatm parameter in the sizes.i file
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located in the tinker/source directory and recompile. Note that if it
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is set too large that tinker programs will abort and core dump.
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For more information about Tinker see:
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WWW: http://dasher.wustl.edu/tinker/
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