AMBER Archive (2009)

Subject: Re: [AMBER] Pentavalent Phosphorous and Antechamber

• Previous message: xueqin pang: "[AMBER] no output when running Antechamber(espgen)"
• In reply to: Peterson, Matthew W.: "[AMBER] Pentavalent Phosphorous and Antechamber"
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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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• Previous message: xueqin pang: "[AMBER] no output when running Antechamber(espgen)"
• In reply to: Peterson, Matthew W.: "[AMBER] Pentavalent Phosphorous and Antechamber"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]