Re: [gmx-users] gmx select and gmx trjconv or gmx density
Thank you Dr. Abraham! I think I will write a script to do the analysis then. Best Regards, Dan On Mon, Apr 9, 2018 at 12:57 PM, Mark Abraham wrote: > Hi, > > Unfortunately not all tools support dynamic selection groups yet, so the > only useful way to use that index file is by matching it with the correct > single frame from the trajectory, which you might get from e.g. gmx trjconv > split > > Mark > > On Fri, Apr 6, 2018, 21:37 Dan Gil wrote: > > > Hi, > > > > I am trying to select particles that are z < 20 and z > 10 as a function > of > > time. > > > > I think I used gmx select correctly and generated an index file with > group > > names like "(z_<_.8_f2882_t23056.000)" > > > > Now I am unsure how I use this index file for gmx trjconv or gmx density. > > Does anybody have some advice? > > > > Thanks in advance. > > > > Best Regards, > > > > Dan Gil > > PhD Student > > Case Western Reserve University > > Department of Chemical and Biomolecular Engineering > > -- > > 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. > -- 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.
Re: [gmx-users] gmx select and gmx trjconv or gmx density
Hi, Unfortunately not all tools support dynamic selection groups yet, so the only useful way to use that index file is by matching it with the correct single frame from the trajectory, which you might get from e.g. gmx trjconv split Mark On Fri, Apr 6, 2018, 21:37 Dan Gil wrote: > Hi, > > I am trying to select particles that are z < 20 and z > 10 as a function of > time. > > I think I used gmx select correctly and generated an index file with group > names like "(z_<_.8_f2882_t23056.000)" > > Now I am unsure how I use this index file for gmx trjconv or gmx density. > Does anybody have some advice? > > Thanks in advance. > > Best Regards, > > Dan Gil > PhD Student > Case Western Reserve University > Department of Chemical and Biomolecular Engineering > -- > 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.
[gmx-users] gmx select and gmx trjconv or gmx density
Hi, I am trying to select particles that are z < 20 and z > 10 as a function of time. I think I used gmx select correctly and generated an index file with group names like "(z_<_.8_f2882_t23056.000)" Now I am unsure how I use this index file for gmx trjconv or gmx density. Does anybody have some advice? Thanks in advance. Best Regards, Dan Gil PhD Student Case Western Reserve University Department of Chemical and Biomolecular Engineering -- 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.
