AMBER Archive (2009)

Subject: Re: [AMBER] Pentavalent Phosphorous and Antechamber

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Thu Jun 04 2009 - 01:29:59 CDT


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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