[gmx-users] Group-based cutoff on non-bonded interactions with CHARMM22

Dawid das addiw7 at googlemail.com
Fri May 19 18:44:16 CEST 2017

Dear  Gromacs Users,

I am a bit confused whether I shouldn't use charge
group-based cut-off for electrostatics when using CHARMM22.
If I shouldn't use it, what is the purpose of specification of charge
groups in
original CHARMM files?

Best wishes,

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