Sebastian, thanks works perfect! James
2013/1/29 Sebastian Breuers <[email protected]>: > Hey James, > > what do think of using trjconv > > 1- If you know how long your trajectory is, you could specify with -dump the > time of the last frame. I think you can find out the length of your > trajectory either with gmxcheck or trjconv -dump -1 (this will print out the > time of the last frame). > > 2- -skip # takes only every #th frame. > > Best regards > > > Sebastian > > > On 29.01.2013 07:28, James Starlight wrote: >> >> Dear Gromac's users! >> >> >> I have long trajectory with small intervals between individual >> time-steps. Using editconf I'd like: >> >> 1- To extract last frame in pdb from my trajectory >> (e.g for extraction of the first frame I'm using but its not working >> with -dump -1 ) >> >> 2- To convert my trajectory into xtc with larger time interval >> beetween snapshots. E.g on the initial trajectory I wrote snapshots >> with nstxout = 1000 but I'd like to obtain output trajectory with >> nstxout = 3000. How It could be done? >> >> >> Thanks for help, >> >> James >> > > -- > _____________________________________________________________________________ > > Sebastian Breuers Tel: +49-221-470-4108 > EMail: [email protected] > > Universität zu Köln University of Cologne > Department für Chemie Department of Chemistry > Organische Chemie Organic Chemistry > > Greinstraße 4 Greinstraße 4 > Raum 325 Room 325 > D-50939 Köln D-50939 Cologne, Federal Rep. of Germany > _____________________________________________________________________________ > -- > gmx-users mailing list [email protected] > 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
