[gmx-users] A question about simulation system includes more than 100000 atoms using Gromacs

张竹青 zhuqingzhang at ucas.ac.cn
Sun Jul 19 12:10:38 CEST 2015

Dear Madam/Sir,

  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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