[gmx-users] file too big?

[K.A. Feenstra]

SANTINI sebastien wrote:
 > Hi all,
 >
 > i have a 3Go file.trr

Write .xtc files and/or leave out solvent, and/or leave out velocities
and/or forces, and/or write less often, and/or split your simulation into
smaller parts.

Unless you have very specific things you want to look at you *never* need:
* more than 1 frame/ps;
* solvent;
* full-precision coordinates;
* velocities;
* forces.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
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|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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