AMBER Archive (2006)

Subject: AMBER: How to apply a force to some atom in a residues?

From: a a (patd_2_at_hotmail.com)
Date: Tue Nov 28 2006 - 21:36:15 CST

>From: "a a" <patd_2_at_hotmail.com>
>Reply-To: amber_at_scripps.edu
>To: amber_at_scripps.edu
>Subject: Re: AMBER: nmode output with ptraj
>Date: Wed, 29 Nov 2006 11:18:32 +0800
>
>Dear Sir/Madam,
>
>Could you mind to teach me how to assign a force to some of the atoms in a
>residue for MIN and MD calculations?
>
>I know if I have to apply a force to a residue, I need "RES 1 4" in the in
>file. like this?
>----------------------------
>Keep DNA fix
>10.0
>RES 1 4
>----------------------------
>
>How about if I just want to fix the C1, C2, C3 and C4 atoms in the RES 1?
>What can I do?
>
>Best regards,
>
>Annie
>
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