On Tuesday 20 April 2010 18:02:50 Bharath.K. Chakravarthi wrote: > hi all.... > I'm running simulation for a protein of about 150 amino acids for 1000000 > steps i.e 2 ns in a system of about 35 GB disk space. > is there any way to know the approximate size of generating data..... >
The grompp command give you that estimation (at least in the 4.x version) Milan -- gmx-users mailing list gmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
