[gmx-users] A question about simulation system includes more than 100000 atoms using Gromacs
m21.tang at qut.edu.au
Sun Jul 19 15:05:47 CEST 2015
my system includes1,700,000 atoms, and runs well with 5.0.4.
Sent from my Huawei Mobile
张竹青 <zhuqingzhang at ucas.ac.cn> wrote:
I have recently tried to use Gromacs to simulation a biolmoleculal system including more than 100000 atoms. As usually, the .gro file just supports the system with atom number up to 99999. But there are some publications in which researchers used Gromacs to simulate like ribosom systems, which includes more than 2000000 atoms. So, could you give some advice on how to do it? Does it need to change the source codes?
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