[gmx-users] air-water interface

Dallas Warren Dallas.Warren at monash.edu
Wed Feb 22 01:56:38 CET 2012

Search the literature and see what others have done to do exactly this.

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 mohammad agha
Sent: Tuesday, 21 February 2012 8:04 PM
To: Discussion list for GROMACS users
Subject: [gmx-users] air-water interface

Dear Gromacs Specialists,

I want to make a system consists of one box of solvent (for example water) that there is 100 surfactant molecules in it and water is in contact with air in surface as same as we do in laboratory in beaker. But I don't know how should I define this air-water interface for my system.

Please help me.
Thanks in advance.

Best Regards
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