Re: [AMBER] forefield for Pyridoxal 5-phosphate

From: FyD <>
Date: Fri, 12 Oct 2012 22:02:08 +0200


> could anyine tell me how to generate forcefield files (frcmod, prep, lib
> files) for Pyridoxal 5-phosphate (mol. formula C8H10NO6P). I have tried all
> the options available in amber, still it was showing some errors. please tell
> me guys, how to fix this problem.

Starting from:


this took : "Execution time: 0 h 8 m 45 s" on the server.

I would split this molecule into two parts: the aromatic ring & the
phosphate; anyway you have a first starting point/example...

regards, Francois

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Received on Fri Oct 12 2012 - 13:30:03 PDT
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