[gmx-users] creating representative structures
stephane.teletchea at univ-nantes.fr
Tue Feb 9 19:44:42 CET 2016
Le 08/02/2016 18:23, Shyno Mathew a écrit :
> I have few questions regarding creating representative structures.
For what its worth, I have been playing with gmx cluster settings lately,
and found the "Jarvis-Patrick" method (default parameters) to provide
me more accurate and "independent" snapshots of the 100 ns-long
simulation (150 000 atoms).
The bad news is that it took nearly 5 days to compute, but considering
this is really what I was searching for.
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