[gmx-users] enough time for simulation
ramadavidgroup at gmail.com
Wed Jan 9 07:14:02 CET 2013
I am not a specialist in gromacs.
To observe these phenomenon the time scale is much up to 1microsecond .
So which forcefield you decided to use ???
People generally use Martini Coarse Grain FF for these type of work.
You have to run the system up to you reach your desire result.
With Best Wishes and Regards,
On Tue, Jan 8, 2013 at 12:55 PM, mohammad agha <mra_bu at yahoo.com> wrote:
> Dear GROMACS Specialists,
> I have one system consists of many surfactant molecules that they create several micelles. How should I know that time of simulation is enough or not? that means where is the enough time for equilibrium of system?
> To creation of micelles, the small oligomers are merged together and make bigger micelles. When the system reach to equilibrium, the grow of micelles is finished and the size of them are constant and they aren't merged together to make bigger micelles. How I should understand that where is the time for equilibrium of system and the time of finish of micelles growing. I work with NPT ensemble.
> May I ask you to answer me, Please?
> Thanks in advance.
> Best Regards
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