[AMBER] Obtaining excess molar volumes using Molecular Dynamics

From: Raghav Arora <RAraghavarora.protonmail.com>
Date: Thu, 28 Nov 2019 10:58:30 +0000


I was going through the following tutorial on amber: http://ambermd.org/tutorials/advanced/tutorial15/Tutorial2.xhtml

I was able to run the simulations as mentioned in the simulation and obtain the respective curves. After this, I was wondering if there is some way in which we can run a simulation in which the mole fraction of room-temperature ionic liquids is varied and excess molar volumes of acetonitrile is obtained corresponding to various mole fractions.

Is there a similar tutorial/resource I can refer to?

If not, can anyone help me do this. I am a beginner and could not find this on the internet.

Raghav Arora
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Received on Thu Nov 28 2019 - 03:00:02 PST
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