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

[Dallas Warren]

http://manual.gromacs.org/documentation/current/onlinehelp/gmx-angle.html

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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