[gmx-users] osmolytes box generation in gromacs

[Dallas Warren]

It's just a simple chemistry calculation that you will have learned in
secondary school chemistry:

n(glycine) = [glycine] * Vol(box)
Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail.


On 3 November 2017 at 05:31, ISHRAT JAHAN <jishrat17 at gmail.com> wrote:
> Dear all,
> I want to make 3M glycine box of size 6,6,6 in gromacs.can anyone tell me
> how to find the number of glycine molecule required for making 3M glycine
> box.
>
> Thanks in advance.
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