Re: [gmx-users] Charge groups, PME and ions [SOLVED]

David van der Spoel wrote: Andreas Kring wrote: Hello all. I have read the manual and searched the archives, but I am still a little confused so here goes: I am going to perform an MD simulation of a molecule consisting of 38 atoms and with a total charge of -4e (water as the solvent). For

Re: [gmx-users] Charge groups, PME and ions

Andreas Kring wrote: Hello all. I have read the manual and searched the archives, but I am still a little confused so here goes: I am going to perform an MD simulation of a molecule consisting of 38 atoms and with a total charge of -4e (water as the solvent). For this molecule it is not pos

[gmx-users] Charge groups, PME and ions

Hello all. I have read the manual and searched the archives, but I am still a little confused so here goes: I am going to perform an MD simulation of a molecule consisting of 38 atoms and with a total charge of -4e (water as the solvent). For this molecule it is not possible to make charge g