[gmx-users] Format of .trr file

[Mark Abraham]

On Sun, Mar 24, 2013 at 9:59 PM, sudipta <sudipta.mml at gmail.com> wrote:

> Hi,
>
> Thanks for your reply. Forget about C/Fortran. Can I read it by some
> advanced scripting languages such as python or matlab or JAVA without using
> any gromacs tool. Is it possible?


Yes. You were given a link already. There are other options Google will
tell you about :-)


> We notice that there is a big precision
> difference between .xtc and .trr  which affects drastically on the
> analysis. Basically, I want to read a big .trr file without loosing any
> digit because it has full precision.
>

I'm curious. What kind of analysis is drastically affected by the lossy
compression of .xtc? Why is the underlying simulation model thought to
offer such a precise model of real physics?

Mark