Re: [gmx-users] Parameters for OPLS

Kobi wrote: Hello, I'm equilibrating a Barnase/Barstar complex using OLPS Force Field, but I'm not sure which parameters I should use for PME. at the moment I'm using the following parameters: coulombtype = PME fourierspacing = 0.12 pme_order = 4 rlist = 1.0 rcoulomb = 1.0 rvdw = 1.0 Tempe

[gmx-users] Parameters for OPLS

Hello, I'm equilibrating a Barnase/Barstar complex using OLPS Force Field, but I'm not sure which parameters I should use for PME. at the moment I'm using the following parameters: coulombtype = PME fourierspacing = 0.12 pme_order = 4 rlist = 1.0 rcoulomb = 1.0 rvdw = 1.0 Temperature Coupling