[gmx-users] 1-4 interactions in CHARMM force field
addiw7 at googlemail.com
Mon May 15 20:02:32 CEST 2017
Dear Gromacs Users,
I would like to hear your advice on scaling 1,4-interactions for both
QM/MM molecular dynamics simulations. I am using CHARMM27 force field.
Firstly, for classical MD, according to this post
I should not rescale 1,4 iternactions, so if I use MDP options you suggest
Gromacs website I do not rescale them, right?
Secondly, do you have any experience with QM/MM MD? Should I rescale the
1,4 interactions? I searched for that but found nothing. Perhaps I've
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