Lammps and DCV-GCMD

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1

Hi, all,

Can lammps be used to perform dual control volume grand canonical molecular dynamics simulation (DCV-GCMD)? I want to study the permeation of the gas through polymer membranes.

Thanks,

Kai

2

nope - but you can talk to Paul Crozier, who has written
a fix gcmc that is step in that direction.

Steve