Re: [AMBER] cyclic-di-nucleotid

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Sun, 07 Jul 2013 18:09:23 +0200

Dear Hector,

> How must i do to download cyclic-di-nucleotid force field parametres from
> the http://q4md-forcefieldtools server.

R.E.D. Server generates molecular electrostatic potential based charge
values embedded in force field (FF) libraries; it does not generate FF
parameters and it does not perform atom typing (definition of the atom
types).

on the contrary R.E.D. Python (not yet available); does all in one
step; you could run R.E.D. Server; this means:
- build a pdb fie for this cyclic-di-nucleotide
- run R.E.D. Server/Ante_R.E.D. 2.0 to generate a P2N file
- run R.E.D. Server/R.E.D. IV to generate the mol2 file (has a role of
FF lib).

We can post-process your data with R.E.D. Python if you provide us the
PXXXX R.E.D. Server/R.E.D. IV job.

regards, Francois



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Received on Sun Jul 07 2013 - 09:30:03 PDT
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