[gmx-users] Gromacs simulation system size

tm23 tm23 at rice.edu
Mon Jun 25 23:44:10 CEST 2018


Hi all,

     I have a large system to simulate. The final configuration after  
adding water has almost 500,000 atoms. I have not dealt with such a  
large system before, can Gromacs efficiently simulate such a large  
system? Does Gromacs has a size limitation? Thanks for your help.

Best Regards,
Tianqi




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