Re: [AMBER] error while running mmpbsa.py in amber12

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 1 Feb 2013 17:28:25 -0500

On Fri, Feb 1, 2013 at 5:22 PM, Ismail, Mohd F. <farid.ou.edu> wrote:

> Hi Jason, is this true for Amber11 too?
>

That bzipped trajectories will not work? I'm not sure. We started using
cpptraj for trajectory manipulation after Amber11, I think. Since cpptraj
has been a rapidly-developing code since then (when it was brand-new), I'm
not sure what did and didn't work several years ago.

If it doesn't work, you will quickly get an error.

However, NetCDF is still a far superior option in Amber 11, as well. And
gzipped trajectories should still work fine.

HTH,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Feb 01 2013 - 15:00:02 PST
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