[gmx-users] OPLSaa+Lipid.itp question
Mirus at lrz.uni-muenchen.de
Fri Jul 6 15:35:39 CEST 2007
> Thanks Oliver, it's gratifying to know that everything is working for
> you. If you are not using the half-epsilon double-pairlist method for
> the lipid 1-4 interactions then you should note that opls-aa defaults
> are causing coulombic 1-4 scaling by 0.5 (non-standard for these lipid
thanks for the hint! I've implemented the necessary changes according to
another tutorial of yours:
I did short test simulations and everything seems to be working.
However, long test runs are needed to validate the setup, but
unfortunately I will have to postpone them till next month.
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