[gmx-users] Insertion of the protein into membrane with Gmembed
jmsstarlight at gmail.com
Fri Nov 11 07:44:12 CET 2011
Dear Gromacs Users!
I have some questions about insertion protein into membrane with Gmembed
1) I've used default parameters from gmembed manual for preparing input for
integrator = md
energygrp = Protein
freezegrps = Protein
freezedim = Y Y Y
energygrp excl = Protein Protein
Here Protein is my protein group in topology.top
I've obtained 2 warning from gropp
WARNING 1 [file gmembed.mdp, line 27]:
Unknown left-hand 'energygrp' in parameter file
WARNING 2 [file gmembed.mdp, line 27]:
Unknown left-hand 'energygrp excl' in parameter file
What does it means ? If I ignore those warnings I've obtain
No energy groups defined. This is necessary for energy exclusion in the
May be I should define freezegrps as my lipid group not a protein or use
ndx file as an alternative ?
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