[gmx-users] Output forces only for select group of atoms

[Mark Abraham]

Hi,

No, but instead see
http://manual.gromacs.org/documentation/current/user-guide/mdrun-features.html#re-running-a-simulation

Mark

On Tue, Feb 27, 2018 at 10:28 PM Jacob Alan Spooner <Jacob.Spooner at ufv.ca>
wrote:

> Dear GROMACS users,
>
> I am simulating a fairly large system of about 250000 atoms and I want to
> analyze the forces at each output step for only a select group of about 200
> atoms (and actually only the z component of the force but this is less
> important).  My question is whether or not there is a simple way to
> selectively output forces for only my atoms of interest.  I will have long
> runs and high output frequency so I would really like to avoid having to
> output force data for the other ~249800 atoms in my system.  Any help is
> greatly appreciated!
>
> Thanks,
> Jake Spooner
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