Thank you Jason. I will look at NetCDF more carefully. AT12 manual also mention that one can do a trajin and trajout to formatted trajectories if needed.
*******************************
Mohd Farid Ismail
Graduate Student
Dept. of Chemistry/Biochemistry
University of Oklahoma
Norman 73019
________________________________________
From: Jason Swails [jason.swails.gmail.com]
Sent: Friday, February 01, 2013 4:28 PM
To: AMBER Mailing List
Subject: Re: [AMBER] error while running mmpbsa.py in amber12
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 - 15:00:03 PST
