AMBER Archive (2005)

Subject: Re: AMBER: new aminoacid

From: David A. Case (case_at_scripps.edu)
Date: Mon Jan 17 2005 - 11:56:34 CST

On Mon, Jan 17, 2005, Gustavo Pierdominici Sottile wrote:

> Hi, I am trying to make leap recognize the pdb input that has a non-
> standard aminoacid. I have made the .in file, an have already developed the
> parameters.

I'm not sure what you mean by the ".in" file; can you post an example that
doesn't work?

> The problems is that when I load the input.pdb the parameters
> that are absents are not what they should be. For example, it appears that a
> CW-C bond is absent, but I have not this bond in the non standard aminoacid.

Again, we will have to see details to be of any real help.

...good luck...dac

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