[gmx-users] Continuation of finished job

Anton Feenstra feenstra at few.vu.nl
Fri Jun 17 11:07:55 CEST 2005


Gia Maisuradze wrote:

> David,
> 
> Thanks again. I am running MD for 10ns. I have renamed .trr , .xtc and 
> other output files for this run. I believe that when MD simulation will 
> be done, these new output files will contain the information of all 
> entire 20ns (10ns+10ns) simulation. Is it correct?

No. The old (renamed) files contain the first 10ns, the new files will 
contain the second 10ns.

Use trjcat and eneconv to combine the files.

-- 
Groetjes,

Anton

* NOTE: New Phone & Fax numbers (below) *

  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Tel: +31 20 59 87608 - Fax: +31 20 59 87610           |
|             | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/         |
|             | "If You See Me Getting High, Knock Me Down" (RHCP)    |
|_____________|_______________________________________________________|



More information about the gromacs.org_gmx-users mailing list