AMBER Archive (2003)

Subject: Re: pyroglutamic acid (PCA)

From: David A. Case (case_at_scripps.edu)
Date: Thu Jun 26 2003 - 12:34:25 CDT

On Wed, Jun 25, 2003, Javier Cuervo wrote:
>
> I need to run a simulation with a protein that has a PCA residue,
> I tried to produce the parameter file with leap but it seems that leap
> does not know what PCA is.
> Does anyone have the parameters files needed to run such simulation?

Unless someone happens to reply, you will need to use LEaP to build this
residue. Try starting from something similar (glutamic acid?) and modifying
it.

..good luck...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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