[gmx-users] increasing the system size
Mark.Abraham at anu.edu.au
Fri Oct 9 00:23:51 CEST 2009
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.
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