Re: [AMBER] Convert namd input file into sander input format?

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 6 Nov 2015 11:50:44 -0500

On Fri, Nov 6, 2015 at 11:33 AM, Xing <stecue.gmail.com> wrote:

> Dear all,
>
> Is there a tool that can convert namd input file into sander/pmemd input
> format (or vice versa) ? Our collaborators used namd with amber force field
> and I want to adapt and expand their results in
> amber. I can convert the input files into sander files manually but it
> seems easy to make an error when there are a lot of variables in the
> namelist format...
>

‚ÄčThere is no tool that I'm aware of to do this. I would be wary to trust
any such tool in the first place for all but the simplest conversions (in
which case, it is not hard to do it by hand, anyway).

HTH,
Jason
‚Äč
-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Nov 06 2015 - 09:00:05 PST
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