[gmx-users] increasing the system size

[Mark Abraham]

Amit Choubey wrote:
> Hi everyone,
> 
> I was looking for ways to increase the system size (no. of atoms)
> beyond 99999 . I read somewhere that there is no inherent constraint
> in gromacs on system size rather its because of the format of .gro . I
> cant find where i read this but could someone suggest me what to do if
> i need to go beyond 99999.

If so, try using .g96 suffixes for coordinate files when generated by 
pdb2gmx, as inputs to grompp and outputs from mdrun.

Mark