Re: [AMBER] glycated residue parameter

From: <>
Date: Mon, 4 Aug 2014 15:35:39 +0800 (CST)


Remember that antechamber can only deal with whole molecules, not with fragments. If what you're parameterizing is a residue, I wouldn't really trust the results. Probably the easiest way would be to either follow the indications in the old non-standard residue tutorial, or define a non-standard atom for whatever position you have attached your glycan to, and then simply use glycam nomenclature + the bond command on x- or tleap to attach the glycan to that atom.

Hopefully that helps,

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Received on Mon Aug 04 2014 - 01:00:03 PDT
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