[gmx-users] comm-grps

fciocco fciocco at gmail.com
Tue Feb 19 15:25:27 CET 2013


I want to study the interaction between a peptide and a lipid bilayer, with
the peptide initialy outside de bilayer.  Is correct to choose only
"bilayer" and "SOL_ions" as comm-groups ? because grompp complain about that
with a warning: some atoms are not part of any center of mass motion removal
group. This may lead to artifacts.    

any help would be very appreciated.

best regards, Facundo

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