You can reduce the size of the trajectories after the simulation with trjconv
-skip (or -dt).
For a new simulation I refer to the previous suggestion.
Andreas
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??
Please help.
Nabajyoti Goswami
Ph.D Student.
Center for Biotechnology,
Anna University,
Chennai-600025
Tamil Nadu.
Mobile: 09840487093
------------------------------------------------------------------------
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
