[gmx-users] g-select failed

Teemu Murtola teemu.murtola at gmail.com
Mon Sep 8 15:59:18 CEST 2014


On Mon, Sep 8, 2014 at 4:47 PM, Albert <mailmd2011 at gmail.com> wrote:

> I am trying to make two groups for my lipids sytem by g_select with
> command line:
> g_select_mpi -sf select.dat -f em.gro
> here is the content of select.dat:
> up=z>80;
> down=z<80;
> but it failed with messages: ...

Your selection file only declares two selection variables ("up" and
"down"), but no actual selections. Since g_select expects to get some
selections, it gives the error message. You can specify your selections
like this if you want to give them names:

"up" z>80;
"down" z<80;

Best regards,

More information about the gromacs.org_gmx-users mailing list