AMBER Archive (2006)

Subject: AMBER: structure from MD

From: Fenghui Fan (fenghui_fan_at_yahoo.com)
Date: Tue Sep 26 2006 - 11:42:14 CDT

Dear all,

I want to get a structure from MD trajectory for
publication. In order to do this, should we use the
PDB file from the last rst file, or we get the average
structure from a plateau period, or we get the
structure by further energy minimized the average
structure?

I am looking forward to getting your reply.

Best regards.

Fenghui Fan

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