AMBER Archive (2004)

Subject: Re: AMBER: extracting energy from trajector?

From: Carlos Simmerling (
Date: Wed Nov 24 2004 - 13:07:12 CST

there is no need to modify anything, this capability is included in sander.
see the imin section of the manual, and look in test/trajene for an

Bill Ross wrote:

>>a way to get these energy data from my crd file.
>One way: split it into multiple rst files with ptraj or carnal,
>then run sander min single step on each, saving the initial
>Another: modify sander or anal to do it.
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