[gmx-users] fix simulation box corners NVE

[Erik Marklund]

Hi,

I suspect the question is ill-formed. In what way are the corners not fixed when you run NVE/T? All you need to do is turn off pressure coupling.

Kind regards,
Erik

> On 4 Jan 2016, at 21:42, Sereda, Yuriy Vladimirovich <ysereda at indiana.edu> wrote:
> 
> How to fix corners of the NVE or NVT Gromacs simulation box?
> 
> How to transform existing trajectory to comply with this?
> 
> How to set parameters of a new Gromacs simulation to make sure simulation box corners stay at fixed positions?
> 
> Thanks,
> 
> Yuri
> 
> IU Bloomington Chemistry
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