Re: [AMBER] simulation of protein

From: Gustavo Seabra <gustavo.seabra.gmail.com>
Date: Fri, 4 Jun 2010 14:34:54 -0300

On Jun 4, 2010, at 1:45 PM, ashutosh shandilya wrote:

> In context of my previous mail the helix is getting unfolded and sometimes
> sheets are disappearing as well because of 2.1ns md simulation in water at
> constant pressure.Which structure shall I take and the reason for unfolding.
> Thanks and regards
> Ashutosh Shandilya
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Adding to Bill's suggestion, it would also help to know which force
fields are you using. did you have to derive force fields for any
residue?

Gustavo.
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Received on Fri Jun 04 2010 - 11:00:04 PDT
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