James Starlight wrote:
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 insertion
integrator = md
energygrp = Protein
freezegrps = Protein
freezedim = Y Y Y
energygrp_table
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
Both of the warnings indicate typographical errors. Please see the manual for
proper keywords.
-Justin
No energy groups defined. This is necessary for energy exclusion in the
freeze group
May be I should define freezegrps as my lipid group not a protein or use
ndx file as an alternative ?
Thanks,
James
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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