[gmx-users] Trajectory files are too big

Nabajyoti Goswami nabajyoti.goswami at gmail.com
Tue Jan 22 07:08:42 CET 2008

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??

Please help.

Nabajyoti Goswami

Ph.D Student.
Center for Biotechnology,
Anna University,
Tamil Nadu.
Mobile: 09840487093
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