RE: [gmx-users] Dihedral potentials

users@gromacs.org Subject: [gmx-users] Dihedral potentials Hello, I have a question regarding the dihedral section in a topology file. If I define two parameters sets for the same dihedral, are the energies added up or is the first one replaced by the second one ? Unfortunately there is no senten

Re: [gmx-users] Dihedral potentials

On Apr 16, 2010, at 3:22 PM, Florian Dommert wrote: Hello Xavier, thank you very much for the quick reply. As I use it in the topol.top file everything is fine, so the dihedrals should add up. yes, I noticed you actually mention it in your email :)) Cheers, Flo On 16.04.2010, at 15:05

Re: [gmx-users] Dihedral potentials

Hello Xavier, thank you very much for the quick reply. As I use it in the topol.top file everything is fine, so the dihedrals should add up. Cheers, Flo On 16.04.2010, at 15:05, XAvier Periole wrote: > > On Apr 16, 2010, at 12:20 PM, Florian Dommert wrote: > >> Hello, >> >> I have a que

Re: [gmx-users] Dihedral potentials

On Apr 16, 2010, at 12:20 PM, Florian Dommert wrote: Hello, I have a question regarding the dihedral section in a topology file. If I define two parameters sets for the same dihedral, are the energies added up or is the first one replaced by the second one ? Unfortunately there is no se

[gmx-users] Dihedral potentials

Hello, I have a question regarding the dihedral section in a topology file. If I define two parameters sets for the same dihedral, are the energies added up or is the first one replaced by the second one ? Unfortunately there is no sentence in the manual regarding this. Cheers, Flo -- Flor