[gmx-users] Biphasic Systems for BSA

James Lord jjamesgreen110 at gmail.com
Sat Jun 27 08:38:32 CEST 2015


Hi all,
I have a trivial question, What is the best box type and size for a big
protein such as BSA (attached .pdb) to minimize computational cost? what is
the rule of thumb re the protein distance to box wall?
This protein is around 16 nm in x direction and 6nm in y.
https://drive.google.com/file/d/0B0YMTXH1gmQsdGd2Z2xtVENzZkk/view?usp=sharing

Cheers
James


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