[gmx-users] Aggregation or phase separation

[Dallas Warren]

https://doi.org/10.1021/la2022903

Best tool at the moment is simple visual observation.  Load it using
your favourite visualiser and see what it looks like compared to the
known phase structures i.e. micellar, reverse micellar, hexagonal,
phase separated etc.

I have a tool/method coming out in the future, but it is not available
for use yet.

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 10 October 2017 at 21:44, gozde ergin <gozdeeergin at gmail.com> wrote:
> Dear Dr. Warren;
>
> Is there any publication that I can read?
> Also could you please give me hint how to define the phase of aggregates in water by using Gromacs tool?
> My PhD defence is in two weeks and I would like to answer if get any question :)
>
> Bests
>> On 09 Oct 2017, at 23:16, Dallas Warren <dallas.warren at monash.edu> wrote:
>>
>> There isn't really anything currently.
>>
>> It is an issue we deal with, have a few things currently do that are
>> published. Have another in the works.
>> 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 10 October 2017 at 01:08, gozde ergin <gozdeeergin at gmail.com> wrote:
>>> I am using Gromacs to study the cis-pinonic acid aggregation in water.
>>> In order to use the Gibbs-duhem relation, I would like to know if these aggregates form inside the water are pseudo-phase or separate phase?
>>> Do you have any hint how to define the phase of aggregates in water by using Gromacs tool?
>>>
>>> Thanks in advance.
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