Dear All,
I am a little confused with the application of
comm_grps. I have a lipid-peptide system in which I am
using the default values i.e.
comm_mode: linear
nstcomm: 1
comm_grps: whole system
Is there something wrong with defining comm_grps =
whole system for the lipid-peptide case? Is it
necessary to define lipid+peptide and solvent
separately?
Eagerly waiting for the reply,
Priyanka
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