[gmx-users] Trajectory files are too big
nabajyoti.goswami at gmail.com
Wed Jan 23 05:31:03 CET 2008
Thank a lot. I am getting the clue for it.
Thank all of you.
On Jan 23, 2008 4:50 AM, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
> Nabajyoti Goswami wrote:
> > Dear Gromacs Users,
> > After a long time I am working with gromacs. Though at the starting I
> > got some problem in installation with the rpm, (a conflict error with
> > mono-web) I installed it anyway forcefully. Problem is the trajectory
> > files that I am getting are too big. I have run a mdrun for 2ns on a
> > protein+water system consisting of 60149 atoms in 18875 residues (as
> > after running 'genbox' using spc216.gro). The .xtc, and .trr files I am
> > getting are of 19GB and 12GB respectively. Is this normal, or I have
> > some problem with my gromacs? My hard disk space is 80GB. I am just
> > worrying about what should I do if I will have to run it for 4ns or more
> > than that?? If these files are so big how many MD will I be able to run?
> > Is double precision installation of gromacs helpful? will I get these
> > trajectory files in some compressed format??
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Center for Biotechnology,
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