On Fri, Jun 24, 2016 at 11:04 AM, Albert <mailmd2...@gmail.com> wrote:
> Great to hear that. Hopefully it can support .xtc format soon, since the > .trr file is really huge. > > Actually you can use mdtraj to read .xtc format and construct pytraj's object in memory. there is an tutorial here: http://amber-md.github.io/pytraj/latest/tutorials/interface_with_mdtraj_.html Hai > > On 06/24/2016 04:36 PM, Hai Nguyen wrote: > >> Hi, >> >> cpptraj is able to read TRR format too. cpptraj can read a pdb file as >> Topology, so no need to do any conversion to " an equivalent AMBER >> topology" >> I hope that Dan Roe (cc) can find a time slot to implement xtc and tng >> parser soon. >> >> @Albert: meanwhile, you can absolutely use pytraj (python interface of >> cpptraj)<https://github.com/Amber-MD/pytraj> and NGLView >> <https://github.com/arose/nglview> for your gromacs data analysis and >> visualization (need to convert to .trr format thought). >> >> cheers >> Hai >> >> >> > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
