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

2013-02-21 Thread Justin Lemkul
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

2013-02-21 Thread Elisabeth
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

2013-02-21 Thread Justin Lemkul
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

Re: [gmx-users] system size.

2006-05-30 Thread karamyog singh
:) thanks a ton. -karamyog.On 5/30/06, Mark Abraham <[EMAIL PROTECTED]> wrote: karamyog singh wrote:> Is there any limit for the system size that i want to simulate in gromacs?No, you are limited by your hardware and your lifetime.Mark___ gmx-users mailin

Re: [gmx-users] system size.

2006-05-30 Thread David van der Spoel
karamyog singh wrote: Is there any limit for the system size that i want to simulate in gromacs? - karamyog. ___ gmx-users mailing listgmx-users@gromacs.org http://www.groma

Re: [gmx-users] system size.

2006-05-30 Thread Mark Abraham
karamyog singh wrote: Is there any limit for the system size that i want to simulate in gromacs? No, you are limited by your hardware and your lifetime. Mark ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/

[gmx-users] system size.

2006-05-30 Thread karamyog singh
Is there any limit for the system size that i want to simulate in gromacs? - karamyog. ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www