[gmx-users] append files in Gromacs 3.3

[Justin A. Lemkul]

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
> 

-- 
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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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