[gmx-users] merging simulation boxes
ppirzade at ucalgary.ca
Fri Sep 18 01:20:00 CEST 2009
I have a box of crystal (from another simulation) and a box of solvated
protein. Now I want to put the protein close to my crystal.
On Fri, 2009-09-18 at 09:04 +1000, Mark Abraham wrote:
> Paymon Pirzadeh wrote:
> > Hello,
> > Are there any links on how we can merge two simulation boxes to make a
> > single configuration? What technicalities should be considered?
> Define "merge". There's a whole pile of issues depending what you mean.
> Why can't you build initial coordinates up from scratch, rather than
> "merge" some pre-existing sets?
> gmx-users mailing list gmx-users at gromacs.org
> 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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
More information about the gromacs.org_gmx-users