[gmx-users] append files in Gromacs 3.3

[Rebeca García Fandiño]

Thanks a lot for your quick answer!
Best wishes,
Rebeca.

> 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).
> 
> -Justin
> 
> > 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
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> 
> ========================================
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