Re: [AMBER] Enquiry regarding MD run

From: Bill Ross <>
Date: Mon, 15 Mar 2010 11:45:51 -0700 (PDT)

> so what parameters i need to consider for temperature
> Bill please be bit precise as i am pretty new to AMBER.

There is actually introductory material out there, such as
examples, plus discussion on the email list. The word to
looks for is equilibration. Think gradual warming to start


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Received on Mon Mar 15 2010 - 12:00:02 PDT
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