Re: [AMBER] problems in reading molecule in tleap/xleap

From: David A Case <case.biomaps.rutgers.edu>
Date: Fri, 4 Nov 2011 10:16:44 -0400

On Fri, Nov 04, 2011, Urszula Uciechowska wrote:

> is it possible to use antechamber to get the parameters for this non
> standard residue or I have to use RED?

My take (others, especially FyD may wish to elaborate):

It *is* possible to use antechamber for non-standard amino acids (see option
2 here: http://ambermd.org/antechamber/example.html), but it is way too
complex (this example has seven steps). RED also has a learning curve, but
has lots of examples and authors who are willing to provide help and advice.

...dac


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Received on Fri Nov 04 2011 - 07:30:03 PDT
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