AMBER Archive (2004)

Subject: AMBER: crystal lattice determination

From: Scott Brozell (sbrozell_at_scripps.edu)
Date: Wed Jan 21 2004 - 10:51:37 CST

Hello,

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.

Thanks,
Scott Brozell

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