[gmx-users] General questions

[Marc Baaden]

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

  Marc

-- 
 Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
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