AMBER: crystal lattice determination

From: Scott Brozell <>
Date: Wed, 21 Jan 2004 08:51:37 -0800


Can one obtain crystal lattice information from an AMBER simulation ?
For example, to study the quality of a force field, one might begin
a simulation from a known crystal structure and examine the
crystal lattice parameters at successive points during the MD trajectory.

Scott Brozell

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Received on Wed Jan 21 2004 - 17:57:53 PST
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