Hi, you can easily restrict the amount of data if you set the frequency of writing out coordinates accordingly. Check the manual page 138 (7.3.7, output control). The standard settings (100) are quite small, I recommend to use at least 1000 for writing out coordinates. So the amount of data should be reduced significantly.
Best regards, Björn > 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 -- Dr. Björn Windshügel Department of Pharmaceutical Chemistry University of Kuopio P.O. Box 1627 70211 Kuopio, FINLAND Email: [EMAIL PROTECTED] Phone: (+358) 17 162463 Fax: (+358) 17 162456 Web: www.uku.fi/farmasia/fake/modelling/index.shtml _______________________________________________ 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
