[gmx-users] append files in Gromacs 3.3
Rebeca García Fandiño
regafan at hotmail.com
Wed Aug 10 20:38:06 CEST 2011
Thanks a lot for your quick answer!
> Date: Wed, 10 Aug 2011 14:34:42 -0400
> From: jalemkul at vt.edu
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] append files in Gromacs 3.3
> Rebeca García Fandiño wrote:
> > Hello,
> > I have some old calculations (Umbrella Sampling) carried with Gromacs
> > 3.3.3 and I need to extend them.
> > I have tried to use the option "append" like in Gromacs 4.0, using:
> > mdrun -v -np 8 -s Cl-2.4750_b.tpr -pi Cl-2.4750.ppa -po pullout.ppa -pn
> > Cl-2.4750.ndx -pd -deffnm Cl-2.4750 -append
> > but it does not work, the output files are not appended to the first ones.
> Right, because the -append option was added in version 4.0.
> > Do you know how could append files in Gromacs 3.3?
> Text files can be appended with standard Unix utilities like 'cat' while other
> Gromacs output files can be appended with other Gromacs utilities (trjcat for
> trajectories, eneconv for energy files).
> > Thanks a lot for your help in advance.
> > Best wishes,
> > Rebeca.
> > Dr.Rebeca Garcia
> > Postdoctoral student
> > Santiago de Compostela University
> > Spain
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> gmx-users mailing list gmx-users at gromacs.org
> 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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users