[gmx-users] Problem with removing COM translation

ms devicerandom at gmail.com
Fri Aug 13 21:43:31 CEST 2010


On 13/08/10 18:30, Alexandre Suman de Araujo wrote:

>> I am just curious but... why are you doing actually all of this
>> instead of using a normal periodic solvent box?
>
> The idea is to have less water molecules and, consequently, faster
> simulations.

I thought about that, but I guessed you can use a non-cubical box to do 
(roughly) the same. It seems a nice idea, at a glance.

cheers,
m.



More information about the gromacs.org_gmx-users mailing list