[gmx-users] afm simulation

Dallas Warren Dallas.Warren at monash.edu
Wed Apr 18 23:41:26 CEST 2012

Don't add water and don't use pressure coupling.

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 swati patel
Sent: Wednesday, 18 April 2012 8:12 PM
To: Discussion list for GROMACS users
Subject: [gmx-users] afm simulation

Hello everyone,

I am trying to calculate the rupture force between streptavidin and biotin.Firstly,i have calculated the force by placing my complex in water.Now,i want to simulate my complex without placing it in water and then to calculate the rupture force.Can someone tell me,how to simulate a complex without adding water to it using gromacs?

thanx in advance
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