AMBER Archive (2004)

Subject: Re: AMBER: extracting energy from trajector?

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Wed Nov 24 2004 - 13:33:29 CST


> there is no need to modify anything, this capability is included in sander.

Your amber fees at work :-)

Note that in any case the kinetic energy info will be lost.

Bill
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