[gmx-users] tpbconv *.xtc files!

[Anton Feenstra]

David van der Spoel wrote:

> On Wed, 2004-04-28 at 07:46, Stud_Psychopharm wrote:
> 
>>hi all,
>>Will tpbconv program read *.xtc files to creat the *.tpr file for the 
>>next mdrun. I have deleted my *.trr file unkowingly.
>>Kindly inform if any other way to do this.
> 
> 
> In that case it is better to use the confout.gro file, since it has the
> same precision as the xtc file, but it does have the velocities as well.

However, tpbconv will only accept a .trr file. Workround is to use trjconv
to convert confout.gro into confout.trr (give the .gro file as -s and -f
to trjconv), and give the confout.trr to tpbconv.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
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