Re: [gmx-users] Calculating Contact Surface Area in one Graph

2018-12-18 Thread Justin Lemkul
On Tue, Dec 18, 2018 at 2:34 PM Sebastian Muraru < sebastian.mur...@grabtop.upb.ro> wrote: > Hi there! > > I am a Masters student trying to figure things out. I am trying to > calculate the contact surface area between two molecules. I am aware of the > classic formula, which is CSA = (SASA(comple

[gmx-users] Calculating Contact Surface Area in one Graph

2018-12-18 Thread Sebastian Muraru
Hi there! I am a Masters student trying to figure things out. I am trying to calculate the contact surface area between two molecules. I am aware of the classic formula, which is CSA = (SASA(complex) - (SASA(molecule1) + SASA(molecule2) ) ) divided by 2 and I am aware that we can make graphs fo