Do a short simulation that will be representative. Measure. Use multiplication.
Mark On Thu, Apr 11, 2013 at 8:30 PM, Sikandar Mashayak <symasha...@gmail.com>wrote: > Hi > > I would like to determine an estimate of hard disk space required to > perform a typical MD simulation using gromacs. To do so, I am thinking of > first finding how many bytes are required to store single atom's position, > velocity and force in .trr file for a single frame, and then determine > total bytes required by multiplying it by total number of atoms and > required number of time-frames for a given system. > > So, can anyone give me an estimate of number of bytes required to store > single atom's position, velocity and force in .trr file of gromacs? Also > please suggest me if there is any other better approach to determine an > estimate of hard disk space required. > > Thanks > Sikandar > -- > 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/Support/Mailing_Lists/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/Support/Mailing_Lists > -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
