Re: [AMBER] Binding energy using

From: Jason Swails <>
Date: Thu, 6 Nov 2014 15:18:46 -0500

On Thu, Nov 6, 2014 at 3:05 PM, Wong, Sook (NIH/NCATS) [V] <> wrote:

> Hi Aron,
> The python version is it using the method?

​Yes. That is the version I know the best and the only one I really have
the time to help with issues.

There are a number of differences between and -- in
particular the input files for are the same Fortran
namelist-style input that sander and pmemd accept.

You are likely to find that receives more support from the
mailing list than the Perl version.

Good luck,

Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Thu Nov 06 2014 - 12:30:03 PST
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