[gmx-users] Re: traj problem GROMACS

[Anton Feenstra]

Viviana Bennun wrote:
> Hello, 
> I did not post this question to the gromacs web .
> However if you do  not mind I would like to ask a
> question , I cat 3 trajectories and something is not
> working, while catenating them, I got 2 warnings for
> incomplete frames for the catenation of the energy not
> for the trajectories, 
[...]

First of all, you cannot 'cat' energy files. To combine them you need to 
use eneconv. For trajectory files it is simpler. Normally, you can 
simply 'cat' them together. However, if one of the trajectories is 
broken, i.e., due to a computer crash, disk full, or mdrun crashing, it 
will most probably end in a broken frame, and you cannot 'cat' them. In 
that case, you should use trjcat.

(I cc this to gmx-users so it gets into the archive.)

-- 
Groetjes,

Anton

* NOTE: New Affiliation, Phone & Fax numbers (below) *
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam   |
|(   |   )| | | De Boelelaan 1083 - 1081A HV Amsterdam - Netherlands  |
| \_/ \_/ | | | Tel +31 20 59 87783 - Fax +31 20 59 87653 - Room P440 |
|             | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/         |
|             | "If You See Me Getting High, Knock Me Down" (RHCP)    |
|_____________|_______________________________________________________|