On Tue, Apr 19, 2011, Sajad Ahrari wrote:
> i am using amber03 forcefield to run my job(simulation of a protein
> kinase, attached to MG and ATP).in some related articles i found that
> i must be dealing with xleap in amber10. can any one help me find more
> about this package? i think it is used to be able to deal with the
> ligand. is that so?
Please see chapter 3 of the AmberTools Users' Manual. I'm not sure what you
read in the "related article", but use of xleap is rarely required.
...dac
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Received on Tue Apr 19 2011 - 05:00:04 PDT
