So perhaps you don't need a box this big? a box length of 25 nm might be within your available memory. Otherwise, talk to your cluster's sysadmins.
I am not sure that you're going to get any useful statistics on a box of length 250 nm in any event. A box that size will fit about 1 billion atoms if you're using an all-atom force field. Even a box length of 25 nm will give you 1 million atoms, for which you're going to need some pretty serious computational resources. Chris. -- original message -- Thanks..You are right...The last line of gro file says 250 so it is in nm!... -- 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
