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.war...@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-boun...@gromacs.org [mailto:gmx-users-boun...@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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