[gmx-users] General questions
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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