[gmx-users] Large system

[pbuscemi at q.com]

As suggested,  compare the number of molecules/atoms implied in your top
file against that in your gro/pdb file.  This is one aspect of Gromacs that
it never gets wrong.

-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se
<gromacs.org_gmx-users-bounces at maillist.sys.kth.se> On Behalf Of Bratin
Kumar Das
Sent: Tuesday, January 01, 2019 5:22 AM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] Large system

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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