[gmx-users] Can Gromacs 5.0~5.1.x perform Implicit solvent simulation

Chunlei ZHANG chunleizhang.pku at gmail.com
Tue Dec 29 14:01:28 CET 2015

Dear Gromacs developers and other users,

I would like to simulate a protein complex of 0.5 million atoms by using
implicit solvent model (i.e. GB model).
I has successfully simulated the system with Gromacs 4.5.1 by using
particle decomposition. But it is quite slow.
Since versions > 5.0 support GPU, I want to take advantage of this feature,
but find mdrun does not support particle decomposition.
Does anyone know how to use Gromacs >5 together with GB model?

Thanks in advance.

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