[gmx-users] npt dynamics generate a lot of pdb files

Riccardo Concu ric.concu at gmail.com
Tue May 6 23:23:10 CEST 2014

Dear Natalia,
that error basicly means your system is not well equilibrated, or it is 
exploading and so on. Normally, reducing the nstlist value in your mdp file 
should work.

-----Original Message----- 
From: Natalia Alveal F.
Sent: Tuesday, May 06, 2014 10:32 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] npt dynamics generate a lot of pdb files

Dear Gromacs users,
I am run a dynamics NPT, and this suddenly stops and generates multiples
pdb files such as:


this error means?

I strongly need your help


Natalia Alveal Fuentealba
Ingeniera en Bioinformática
Laboratory of Membranes Proteins Structure and Signalling
Departamento de Fisiología
Pontificia Universidad Católica de Chile
Alameda 340, Santiago, Chile
Fono: 56-2-3542877
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