[gmx-users] liquid/liquid

Dallas Warren Dallas.Warren at monash.edu
Mon May 9 01:51:40 CEST 2011

Easiest way is probably set up the appropriate sized box for molecule 2, randomly distributed molecule 3 in appropriate number through it (genbox), then solvate that box with molecule 2, then combine that box with solvated box containing molecule 1.

Catch ya,

Dr. Dallas Warren
Medicinal Chemistry and Drug Action
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at monash.edu
+61 3 9903 9304
When the only tool you own is a hammer, every problem begins to resemble a nail.

From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Maria Hamilton
Sent: Saturday, 7 May 2011 6:04 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] liquid/liquid

Hi all

I want to simulate a liquid/liquid interface. After construction one of them in one side of the box and the other in the another side, I want to all some other molecules randomly in one of them. What should I do?

Would you please help me?

Thanks alot

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