Hi Ignacio, actually .cpt contains velocities and, to extract a .gro containing them, you can try to use editconf.
Francesco Il giorno 23 aprile 2012 16:45, Ignacio Fernández Galván <jel...@yahoo.com>ha scritto: > --- On Mon, 23/4/12, Alex Marshall <amars...@uwo.ca> wrote: > > > I'm pretty sure .cpt files don't store velocity information. Try using a > > trr file instead. > > Well, I'm pretty sure .cpt files do store velocities: > > 1. What good would be checkpoint files without velocities? > 2. It works with version 4.5.3 > 3. "gmxcheck -f file.cpt" says, for both 4.5.3 and 4.5.5: > > Step 1 > Time 1 > Lambda 1 > Coords 1 > Velocities 1 > Forces 0 > Box 1 > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Cordiali saluti, Dr.Oteri Francesco
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