Re: AMBER: nmode output with ptraj

From: a a <patd_2.hotmail.com>
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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Received on Wed Nov 29 2006 - 06:07:57 PST
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