AMBER Archive (2005)

Subject: Re: AMBER: unnatural ligand

From: David A. Case (case_at_scripps.edu)
Date: Fri Feb 04 2005 - 16:54:06 CST

On Thu, Feb 03, 2005, Eric Hu wrote:

> Hi, I made frcmod and lib files for an unnatural
> residue called LIG(covalently bonded with lys). leap
> can write the top and crd sucessfully showing that LIG
> joins with two neighbouring a.a.

Can you be more specific? What did you take as a "successful showing that LIG
joins with two neighboring a.a."?

> There is a "Ter"
> between the C-terminal of the unnatural residue and
> the next a.a. in the new pdb

This suggests that the two amino acids are in fact not bonded -- hence my
first question.

...dac

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