AMBER Archive (2003)

Subject: Re: how to restrain water

From: Alfonso Garcia Sosa (atg21_at_hermes.cam.ac.uk)
Date: Mon Jun 23 2003 - 10:14:02 CDT

I think you can use the option FCAP, mentioned in section 5.6.13 in the
amber7 manual.

Alfonso Garcia Sosa
Dept of Pharmacology & Wolfson College
University of Cambridge, UK

On Mon, 23 Jun 2003, Mao Xiang wrote:

> Hello, everyone:
> I wonder how I could setup a harmonic force to
> waters leaving a certain boundary after solvate the
> protein using solvatecap. Thanks for your help.
>
>
> Best Regards,
> Xiang
>
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