Re: [gmx-users] simulations in vacuum in parallel

Qinghua Liao wrote: Dear gmx users, I tried to do simulations of a small peptide in vacuum, I found that it failed to be run in parallel, even when I use only 8 cores. My system only have hundreds of atoms. the problem may be resulted from domain decomposition. When I choose particle decompo

[gmx-users] simulations in vacuum in parallel

Dear gmx users, I tried to do simulations of a small peptide in vacuum, I found that it failed to be run in parallel, even when I use only 8 cores. My system only have hundreds of atoms. the problem may be resulted from domain decomposition. When I choose particle decomposition method, for small s