[gmx-users] shuffle option

Lubos Vrbka lubos.vrbka at gmail.com
Thu Jan 19 14:56:33 CET 2006

hi guys,

it is written in the manual that using -shuffle is beneficiary for 
multiprocessor runs. there is however also written that
"the output trajectories will be also shuffled. grompp writes an index 
file which can be used to deshuffle the trajectories"

what exactly does this mean? when i view the trajectory from such a run 
it looks ok...

is it so that number of atoms differ between shuffled and unshuffled 

thanks for clarification. regards,

_ at _"

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