Hi, That functionality would be convenient for you, but hasn't been written. I suggest using gmx check to report on the details of the last frame, and use that to construct input to trjconv.
Mark On Tue, Aug 22, 2017 at 4:58 PM CLARK NICOLAS Joan <[email protected]> wrote: > Dear gmx users, > > > Probably a silly question, but I have been having some trouble finding an > answer. > > > I would like to use trjconv to extract the last snapshot from the trr > trajectory of a crashed simulation. Thing is, I want to do it with a script > and without knowing exactly when the simulation crashed, so I am looking > for an option in trjconv that makes it go directly to the last frame. > > > Another way to do it, since my calculations crash due to LINCS WARNINGS > (which I know the reason for), would be to gently terminate the calculation > when I get the first warning and print the corresponding gro file. > > > Is there any way to do it? > > > Thanks, > > Joan > The University of Edinburgh is a charitable body, registered in > Scotland, with registration number SC005336. > -- > 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 [email protected]. -- 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 [email protected].
