[gmx-users] Large system

Bratin Kumar Das 177cy500.bratin at nitk.edu.in
Tue Jan 1 12:22:34 CET 2019


There must be something wrong in your pdb or gro file. Give the proper
error message. They way you told your problem..no one can understand.

On 01-Jan-2019 11:41 AM, "Anuj Ray" <anujray107 at gmail.com> wrote:

Respected Sir

I am trying to prepare a minimization input file (.tpr) for a system having
153216 atoms but the grompp command is reading only upto 99999 atoms. What
is the procedure to prepare the input for such system?

Regards
Anuj
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