Re: [AMBER] Charmm to Amber (where’s chamber?)

From: Alan <alanwilter.gmail.com>
Date: Wed, 28 Oct 2015 11:27:37 +0000

I found that now CHAMBER is part of ParmEd. Yet, still looking for a way to
generate Amber parm files with Charmm content.

On 28 October 2015 at 09:32, Alan <alanwilter.gmail.com> wrote:

> I am trying to create prmtop and inpcrd files using Urey-Bradley.
>
> So, first question is, does AT15 package (tleap) have a way to generate
> such system from a given PDB file (like I do with Amber14SB)?
>
> Or, does AT15, in any of it’s hundreds of test, have an example of prmtop
> with U-B parameters?
>
> Last option, suppose I got an Charmm psf file with U-B, I understand that
> ‘chamber’ is the way to convert it to Amber format, but where’s ‘chamber’
> in AT15?
>
> Many thanks,
>
> Alan
>
> --
> Alan Wilter SOUSA da SILVA, DSc
> Senior Bioinformatician, UniProt
> European Bioinformatics Institute (EMBL-EBI)
> European Molecular Biology Laboratory
> Wellcome Trust Genome Campus
> Hinxton
> Cambridge CB10 1SD
> United Kingdom
> Tel: +44 (0)1223 494588
>



-- 
Alan Wilter SOUSA da SILVA, DSc
Senior Bioinformatician, UniProt
European Bioinformatics Institute (EMBL-EBI)
European Molecular Biology Laboratory
Wellcome Trust Genome Campus
Hinxton
Cambridge CB10 1SD
United Kingdom
Tel: +44 (0)1223 494588
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Received on Wed Oct 28 2015 - 04:30:03 PDT
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