[gmx-users] g_select error
Roland Schulz
roland at utk.edu
Thu Jan 10 22:30:05 CET 2013
Hi,
thanks for the bug report. Please let us know whether:
https://gerrit.gromacs.org/#/c/2014/
fixes it.
Roland
On Thu, Jan 10, 2013 at 4:08 AM, Albert <mailmd2011 at gmail.com> wrote:
> hello:
>
> I am trying to use g_select to make an index file with command:
>
>
> g_select_mpi -f md.xtc -s npt3.pdb -on density.ndx
>
> but it failed with messages:
>
> WARNING: Masses and atomic (Van der Waals) radii will be guessed
> based on residue and atom names, since they could not be
> definitively assigned from the information in your input
> files. These guessed numbers might deviate from the mass
> and radius of the atom type. Please check the output
> files if necessary.
>
> Assertion failed for "g" in file
> /home/albert/Desktop/gromacs-4.6-beta3/src/gmxlib/sel
> dump core ? (y/n)
>
>
> thank you very much
> Albert
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