Changes between Initial Version and Version 1 of FittingPotentials


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Timestamp:
Apr 15, 2015, 9:55:57 AM (10 years ago)
Author:
FrederikHeber
Comment:

added first version with explanation

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  • FittingPotentials

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     1== Fitting a water potential ==
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     3In this example we will use a brief molecular dynamics simulation of a single water molecule to fit a (in MoleCuilder terminology) compound potential, consisting of constant, Morse, and angle potentials.
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