Dear Matthew,
> We are trying to run MD on a transition state, which contains a
> pentavalent phosphorous. When we run antechamber to parameterize
> the ligand
You could try to use R.E.D. as well providing the additional atom
connectivity(ies) you need in the P2N input file, and R.E.D.
http://q4md-forcefieldtools.org/RED/ will do the job.
regards, Francois
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Received on Thu Jun 04 2009 - 01:16:04 PDT
