Re: [AMBER] PDB to P2N conversion

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From: ABEL Stephane 175950 <Stephane.ABEL.cea.fr>
Date: Sat, 25 Oct 2014 19:09:28 +0000

Hi,

You could use the RED server |1]. Please note that the p2N is no longer required since with the new version of RED (RED server dev) [2], the RESP charges are obtained directly from the PDB files with PyRED. Also note that P2N and PDB files use the same format with several additions (see [3])

|1] http://q4md-forcefieldtools.org/REDServer/
[2] http://q4md-forcefieldtools.org/REDServer-Development/
[3] http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php#EXAMPLE-P2N-FILE

HTH

________________________________________
De : Sylvester Tumusiime [stumusii.uno.edu]
Envoyé : samedi 25 octobre 2014 18:14
À : amber.ambermd.org
Objet : [AMBER] PDB to P2N conversion

Does any one have a PDB to P2N conversion script they can email to me?
Thanks!
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Received on Sat Oct 25 2014 - 12:30:02 PDT