Re: [gmx-users] Free energy between surfaces

2012-02-18 Thread Steven Neumann
ns on the > Hydrophobic Interaction between Two Plates. J. AM. CHEM. SOC. 2007, 129, > 4678-4686 > > Jianguo > -- > *From:* Steven Neumann > *To:* Discussion list for GROMACS users > *Sent:* Saturday, 18 February 2012, 17:25 > *Subject:* [gmx

Re: [gmx-users] Free energy between surfaces

2012-02-18 Thread Jianguo Li
-4686 Jianguo From: Steven Neumann To: Discussion list for GROMACS users Sent: Saturday, 18 February 2012, 17:25 Subject: [gmx-users] Free energy between surfaces Dear Gmx Users, I am wondering whether you know a technique for calculating the free energy

[gmx-users] Free energy between surfaces

2012-02-18 Thread Steven Neumann
Dear Gmx Users, I am wondering whether you know a technique for calculating the free energy between charged surfaces - I want to calculate distance when the deltaG=0 so that the surfaces are in equilibrium - closer distance will make that they repeal each other, longer (deltaG<0). Will Umbrella Sa