[gmx-users] Two ligands - One CPU ?

[jkrieger at mrc-lmb.cam.ac.uk]

Hi Julian,

You can't send attachments to this list. Please upload the log file
somewhere and provide a link.

Best wishes
James

> Dear Gromacs Users,
>
> I have a very strange problem that I have not seen before: I am running
> three simulations of three crystal structures. It is the same protein
> bound
> to different ligands - in one case the ligand is two times present in the
> protein. All preparation steps and commands were exactly the same.
>
> When running the md simulation, strangely the protein with the two ligands
> is running only on one CPU while the other two simulations run on several
> CPUs. Has anybody experienced something like this before?
>
> I am also attaching the log file but I didn't see anything that looked
> suspicious to me.
>
> Thank you for your answers.
> Julian
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send
> a mail to gmx-users-request at gromacs.org.