[gmx-users] Preparing 30% TFE/Water simulation

Tsjerk Wassenaar tsjerkw at gmail.com
Fri Jul 29 08:44:12 CEST 2016


Hi Sanket,

That's not really a Gromacs question, is it? And it's pretty simple math,
once you decide what you mean with 30%. You may want to check
https://en.wikipedia.org/wiki/Concentration

Cheers,

Tsjerk

On Fri, Jul 29, 2016 at 7:44 AM, Sanket Ghawali <sanket.ghawali at gmail.com>
wrote:

> Dear, gmx-users,
>
> Hello everyone,
>
> I wish to prepare a solvation box having 30% TFE/Water mixture. I would
> like too know how to calculate No of TFE and water molecules and what
> should be the ratio for No of TFE molecules / No of Water molecules.
>
> Any suggestions on how to go about doing this?
>
>
> Thanks,
>
> Sanket
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-- 
Tsjerk A. Wassenaar, Ph.D.


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