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??
http://wiki.gromacs.org/index.php/Using_Trajectory_Information#Reducing_Trajectory_Storage_Volume
Mark
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