[gmx-users] extract coordinates from tpr files

Anton Feenstra feenstra at few.vu.nl
Thu May 19 07:38:26 CEST 2005


gianluca santarossa wrote:
> 
> Dear Gromacs Users,
> It should be a trivial task, but I can't do it!
> How can I extract the coordinates from a .tpr file
> and write them into a pdb?

Use 'editconf -f topol.tpr -o topol.pdb'

...choose your own filenames, ofcourse ;-)

-- 
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