Re: [AMBER] Custom topology parameter usage

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Wed, 26 Jun 2013 10:48:20 +0200

Dear Parker,

You might be interested in visiting the q4md-forcefieldtools web site,
which is open to all, where one can find tutorials, the R.E.D. tools
you could download to generate the FF libraries for these molecules on
your own machine, R.E.D. Server that provides the hardware/software
for FF library building and R.E.DD.B. that provides to all examples of
FF libraries and far more...

See http://lists.q4md-forcefieldtools.org/wws/info/q4md-fft

http://q4md-forcefieldtools.org/RED/
http://q4md-forcefieldtools.org/REDS/
http://q4md-forcefieldtools.org/REDDB/
http://q4md-forcefieldtools.org/Tutorial/

regards, Francois


> I'm interested in running MD simulations on various heme containing P450
> enzymes and would like to use a set of recently published parameters found
> here -> https://gist.github.com/ParkerdeWaal/d9d838ab0200b4f29450 (source
> found in link as well).
>
> However this is my first experience with AMBER, coming from GROMACS, and do
> not know yet how to use custom parameters such as this yet.



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Received on Wed Jun 26 2013 - 02:00:04 PDT
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