[gmx-users] Print Neighbour list

[Mark Abraham]

Hi,

That's only supported by the group scheme, which is not the default in
2018.3. Probably the output would only be useful from a single-rank run,
because the searching might be done and reported in terms of indices of
atoms local to the domain being searched, rather than global.

Mark

On Mon, 28 Jan 2019 at 11:50 Paolo Conflitti <paolo.conflitti at gmail.com>
wrote:

> Dear Gromacs community,
>
> I am trying to print the neighbour list of my simulations.
> Following the manual, I added the GMX_DUMP_NL environment variable in my
> .profile bash file (export GMX_DUMP_LN=1). However, I cannot see any
> neighbour list printed in my .log file. I am sure that the env variable
> is properly read, since it appears inside the .log file. I am currently
> using Gromacs 2018.3.
>
> Thank you in advance for any help you may give me.
>
> Best,
> Paolo
>
>
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