Dear all,
I have a question about internal bond interactions within a molecule.
I understand that 1-4 interactions can be scaled with "nbfunc". But I wonder:
1. What is the default for 1-5 and larger interactions in Gromacs? Are the LJ
and charge interactions included (i.e., not scaled)? I'm specifically
interested in reproducing OPLS United-Atom molecules from Jorgensen's 1986 OPLS
paper. He doesn't mention anything about scaling in that paper though so I
guess he's not doing any scaling of any inner-molecule interactions at all
(please someone correct me if this is obviously wrong).
2. Is there any way to scale the 1-5+ interactions in Gromacs?
Thanks in advance! I appreciate any help.
Tom
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