AMBER Archive (2007)

Subject: Re: AMBER: Multiple residues position

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Fri Jul 13 2007 - 11:20:19 CDT

are these alternate conformations? if yes, then keep only one of them.
you can delete the others by hand. you get gaps if you delete them all.

On 7/13/07, snoze pa <snoze.pa_at_gmail.com> wrote:
> Hi,
> I am trying to minimize a protein which have multiple
> residues(20,20A,20B,20C and 99A,99B,99C,99D etc) in same
> position but in different position in space. I do not want to delete them
> because deletion is creating a gap in the protein
> structure. I was wondering if AMBER can take care of these residues. Anybody
> used similar protein in AMBER?
> thanks in advance
>
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