Re: [gmx-users] System size and minimum image convention

On 2/21/13 6:30 PM, Elisabeth wrote: Thanks Justin. Can you please elaborate on why for a binary (solute+solvent) the size should be larger than 2 Rc? I thought minimum image convention works for all atoms (solute ans solvent) and this makes sure forces are not double-counted. What if the solut

Re: [gmx-users] System size and minimum image convention

Thanks Justin. Can you please elaborate on why for a binary (solute+solvent) the size should be larger than 2 Rc? I thought minimum image convention works for all atoms (solute ans solvent) and this makes sure forces are not double-counted. What if the solute is a polymer, I mean how can one calcul

Re: [gmx-users] System size and minimum image convention

On 2/21/13 6:10 PM, Elisabeth wrote: Hello everyone, Does anyone know if the minimum image convention has something to do with the box size effect (independence of simulation results from system size) ? i.e. When the box size is larger than 2*r_c, does this ensure that the results are independ