[gmx-developers] Reference coordinates in mdrun - Availability at all nodes

Tsjerk Wassenaar tsjerkw at gmail.com
Tue Jan 5 21:30:07 CET 2010


Hi,

For some reason, I'm reading in a set of reference coordinates in
mdrun (do_md). These should be available during the entire run, but
obviously, I have to ensure that they are available at each node in
order not to compromise efficiency. Could any of you give a pointer
(no pun intended, but please, not a void pointer :p) on how to achieve
that?

Thnx in advance,

Tsjerk

-- 
Tsjerk A. Wassenaar, Ph.D.

Computational Chemist
Medicinal Chemist
Neuropharmacologist



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