[gmx-users] xtc vs trr format

Nuno R. L. Ferreira nunolf at ci.uc.pt
Fri Oct 24 13:26:01 CEST 2003

Hello gmx users

By default mdrun saves .xtc files, so I assume that a great majority of you
save the trajectories in this format.
Is that right? And what about -ndec, do you use 3 or a greater precision?
I think that we have to choose the precision accordingly to what we want to
digg out from the trajectory.

I'm performing some normal MD stuff, and it's time to save my information.
My trajectories are in .trr format,  and just wanted to ask for an opinion
about a "safe" format to put in the CD (several, by the way).
After that, the analyses could be made in any other precision.


Nuno Ricardo Santos Loureiro da Silva Ferreira
Grupo de Química Biológica
Departamento de Química
Faculdade de Ciências e Tecnologia
Universidade de Coimbra
3004-535 Coimbra

Phone: +351 239 852080
Fax: +351 239 827703

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