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
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