[gmx-users] General questions

Marc Baaden baaden at smplinux.de
Fri Dec 14 20:49:58 CET 2001

Here some things under the topic "What I often wondered about,
but never actually asked anybody" ...

- is there a way of estimating the size of XTC and TRR, .. files ?
  given that number of atoms and frequency of writing is known or
  can be retrieved from the mdp file

- is there an easy way of calculating the closest distance in any
   of the 3 directions x,y and z of a molecule to its periodic
   images when using pbc


 Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
 mailto:baaden at smplinux.de  - ICQ# 11466242 -  http://www.marc-baaden.de
 FAX/Voice +49 697912 39550  -  Tel: +44 1865 275380  or  +33 609 843217

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