[gmx-users] Ionic liquid simulation problem

2017-09-14 Thread Agatha Faria
> Dear GROMACS Community, > > I am very new with GROMACS I am trying to run a simulation of an ionic liquid > (1-butyl-3-methyl-imidazolium and hexafluorophosphate) according to the > following protocol: > > 1. Prepared the respective PDB files and added/modified the OPLS/AA force > field

[gmx-users] Ionic liquid simulation problem

2017-09-13 Thread Agatha Faria
Dear GROMACS Community, I am very new with GROMACS I am trying to run a simulation of an ionic liquid (1-butyl-3-methyl-imidazolium and hexafluorophosphate) according to the following protocol: 1. Prepared the respective PDB files and added/modified the OPLS/AA force field parameters