[gmx-users] Trajectory in text format

Anton Feenstra feenstra at chem.vu.nl
Mon Apr 26 09:40:05 CEST 2004


Keta Jones wrote:

> Dear GROMACS community,
> 
> I want to write the final output trajectories in
> text(user readable format).Please help me how to do it
> ?
> Actually I want to analysis some H-bond, RDF
> properties separately.Do I have to write a analysis
> code for this.
> Is there any analysis code available for this type of
> analysis.

The Gromos trajectory is ascii (don't remember what we call it in Gromacs, sorry),
and the .gro and .pdb structure file formats can be used as trajectories as well.
 From these it is easy, using e.g. awk, or cut, to get the coordinates only.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "If You See Me Getting High, Knock Me Down"           |
|             | (Red Hot Chili Peppers)                               |
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