[gmx-users] trr to xtc
feenstra at few.vu.nl
Fri Dec 10 18:21:34 CET 2004
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
| | |
| _ _ ___,| 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 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