Re: Topology for lysine bouding in Epsilon

From: Kenno Vanommeslaeghe (
Date: Wed May 07 2014 - 10:33:16 CDT

On 05/07/2014 05:40 AM, Jean-Patrick Francoia wrote:
> Just one last question. Do I have to write a patch for each epsilon bound,
> with the corresponding numbers of the Lys residues, or can it be applied
> more generally ? Because I don't have only one or two epsilon bonds in my
> polymer (more like 200).

Just one generic patch will do. If you wish, I can have a look at it once
you're finished.

Of course, you'll have to apply that one patch 200 times in your
CHARMM/psfgen/VMD input (not to mention generating 200 ordinary polylysine
chains first), so some scripting may be advantageous at that level.

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