Re: [AMBER] Restraints

From: David A Case <david.case.rutgers.edu>
Date: Fri, 9 Oct 2015 06:03:49 -0700

On Fri, Oct 09, 2015, Wong Li Zhe wrote:
>
> Before that, I would need to restraint the residues.
> It is however, from tutorial B1 (section 5.1.3), the residues being
> restrained is only 1 to 20.
> In my case, I have 2 regions which I would like to restrain them but
> they are far apart (region A: 373-424) (region B: 610-1198).

Use restraintmask="373-424,610-1198".

You can use the ambmask command to check that you are getting the atoms you
want.

....dac


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Received on Fri Oct 09 2015 - 06:30:04 PDT
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