[gmx-users] trr to xtc

[Anton Feenstra]

David van der Spoel wrote:

> On Thu, 2004-12-09 at 09:16 +0000, Abil Aliev wrote:
> 
>>is any information lost on converting trr to xtc by 
>>trjconv -f file.trr -o file.xtc. space saving is
>>impressive, about 8 fold, but not sure if xtc is as
>>good as trr for the analysis tools.  
> 
> Yes, you lose precision. xtc is rounded to pm.
> 
> For most analysis this is not relevant.

Also, trjconv has an option to set the # decimal places that get into the 
.xtc file.


-- 
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 few.vu.nl - www.few.vu.nl/~feenstra/         |
|             | "If You See Me Getting High, Knock Me Down" (RHCP)    |
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