[gmx-users] creating representative structures

[Téletchéa Stéphane]

Le 08/02/2016 18:23, Shyno Mathew a écrit :
> I have few questions regarding creating representative structures.

Dear Shyno,

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 
the results,
this is really what I was searching for.

HTH,

Stéphane

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