Re: [AMBER] huge values for the vibrational entropy from ptraj

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 29 Oct 2013 11:00:50 -0400

On Tue, Oct 29, 2013 at 4:56 AM, Vlad Cojocaru <
vlad.cojocaru.mpi-muenster.mpg.de> wrote:
>
>
> -------------------- sample input --------------------------
> trajin _MMPBSA_complex.nc 10000 50000 5
>

You are taking every 5th frame. Starting at frame 10000 to 50000 taking
every 5 frames gives you 8001 total frames, I think (frame 10000 being the
first).


-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Oct 29 2013 - 08:30:03 PDT
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