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
