[gmx-users] Trans-Gauche fraction for surfactant chain

Dallas Warren dallas.warren at monash.edu
Mon Jun 3 00:45:20 CEST 2019


Calculate the angle distribution, then integrate / find area under the
curve, for the sections of interest and convert to a fraction.

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 Sat, 1 Jun 2019 at 19:24, anupama sharma <anusharma.jan1995 at gmail.com> wrote:
> Dear users,
>  I need help regarding the calculation of gauche fraction for surfactant
> chain and the way to do that.
> --
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