AMBER Archive (2005)

Subject: Re: AMBER: ibelly not working

From: David A. Case (case_at_scripps.edu)
Date: Thu Apr 21 2005 - 10:36:40 CDT

On Wed, Apr 20, 2005, Stern, Julie wrote:

> My pinned atoms using ibelly (which I know designates what should
> move rather than what stays frozen) don't appear pinned at all.

Can you give more details? Are you running any constant pressure simulations?
(The belly option will not keep atoms completely in place when pressure is
being regulated.)

...dac

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