[gmx-users] g_select error

Albert mailmd2011 at gmail.com
Thu Jan 10 10:08:26 CET 2013


  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 
dump core ? (y/n)

thank you very much

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