[gmx-users] un-coupled simulations and traj recovery

[Anton Feenstra]

Giorgos Karvounis wrote:
> 
> If we wanted to save every possible step, we would need a really huge
> disk.

Yes - if you really need every step, we're taling Tera-Bytes.

> ...Until we decide to try  hacking the code (...again...).

Which parameters exactly would you need in addition to the ones already
in the output files (i.e. .trr and .edr)?


-- 
Groetjes,

Anton
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|  _   _  ___,| K. Anton Feenstra                                     |
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