[gmx-users] OPLSaa+Lipid.itp question

Oliver Mirus Mirus at lrz.uni-muenchen.de
Fri Jul 6 15:35:39 CEST 2007

Hi Chris,

> 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 
> parameters).

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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