Re: [votca] Angle distributions

2016-09-12 4:00 GMT-06:00 ArS : > I meant that is there any method to modify the tabulated angle potentials, > which are generated by inversion Boltzmann distribution? I think that my > angle potentials are wrong and hence the angular distribution due to the AA >

Re: [votca] Angle distributions

I meant that is there any method to modify the tabulated angle potentials, which are generated by inversion Boltzmann distribution? I think that my angle potentials are wrong and hence the angular distribution due to the AA simulation and those obtained after the coarse-grained simulation are

Re: [votca] Angle distributions

2016-09-09 5:39 GMT-06:00 ArS : > Dear VOTCA users, > > I am coarse graining a surfactant molecule. I am deriving the bonded > potentials using Boltzmann inversion. First I got the distributions of > bonds and angles due to mapping of atomistic model to a coarse-grained >

[votca] Angle distributions

Dear VOTCA users, I am coarse graining a surfactant molecule. I am deriving the bonded potentials using Boltzmann inversion. First I got the distributions of bonds and angles due to mapping of atomistic model to a coarse-grained model, and from those distributions, bonded potentials were