[gmx-users] Trajectory files are too big

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jan 23 00:20:19 CET 2008

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??



More information about the gromacs.org_gmx-users mailing list