On Fri, Sep 16, 2011 at 9:19 AM, <aiswarya.pawar.gmail.com> wrote:
> Hi Users,
>
> Am new to Amber. I have a MD 10ns data from gromacs now I want to use
> utlilities such as ptraj from amber tools. I don't know how do I start with.
> I know I have to convert the files, after that then how does this work?
>
The AmberTools manual is a great resource for this (it is included in the
doc/ directory of the AmberTools 1.5 download, and it is also available
online at
http://ambermd.org). Your question is too vague to supply any
other answer to, since ptraj (and other AmberTools utilities) can do a lot
of different tasks, and you gave no specifics about what you're trying to
do.
I would suggest reading the sections of the manual regarding which
functionality you're interested in using and figuring out how those programs
work.
HTH,
Jason
>
> Thanks
> Sent from my BlackBerry® on Reliance Mobile, India's No. 1 Network. Go for
> it!
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Sep 16 2011 - 10:00:06 PDT
