AMBER Archive (2008)

Subject: Re: AMBER: how to link two different atoms in xLeap

From: David A. Case (case_at_scripps.edu)
Date: Wed Mar 26 2008 - 23:52:18 CDT

On Wed, Mar 26, 2008, snoze pa wrote:
>
> In my pdb file two atoms SG from CYS and OG1 from THR are linked. How
> can i linked them inside xLEaP. I am trying to use the
> bond command but it is not working though i can link two different
> SG's from CYS residue using bond command.

You would need to say what you tried, and what the result was. Just saying
"it is not working" is not likely to elicit useful help. Note that
you will probably have to set up a THR residue with no HG atom (just like you
have to use CYX with no HG hydrogen for disulfides).

...dac

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