AMBER Archive (2006)

Subject: Re: AMBER: nmode output with ptraj

From: a a (patd_2_at_hotmail.com)
Date: Tue Nov 28 2006 - 21:18:32 CST

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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