Re: [AMBER] restraintmask: select residues around the coordinates of a point

From: David A Case <david.case.rutgers.edu>
Date: Mon, 25 Jul 2016 08:05:18 -0600

On Mon, Jul 25, 2016, Thomas Evangelidis wrote:
>
> I would like to do equilibration of the structures of many proteins without
> their ligands, but to keep flexible only the residues within the binding
> pocket. For this purpose I must write a restraint mask, but when I find the
> pocket residues using "ambmask"‚Äč, the resulting ""maskstr" exceeds the
> limit of 80 characters.

Please upgrade to a more recent version of Amber/AmberTools. The maximum
length of restraintmask was bumped up to 256 some time ago.

....dac


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Received on Mon Jul 25 2016 - 07:30:02 PDT
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