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
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Only plain text messages are allowed!
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
