subject:"\[gmx\-users\] PMF for Carbohydrate\-Protein"

Re: [gmx-users] PMF for Carbohydrate-Protein

2011-03-17 Thread Justin A. Lemkul

Sai Kumar Ramadugu wrote: Dear All, I'm running set of umbrella sampling simulations to get the PMF of a disaccharide binding to a protein. I followed the tutorial provided by Justin and changed the values of necessary parameters according to my system. The mdp file for umbrella sampling sim

[gmx-users] PMF for Carbohydrate-Protein

2011-03-17 Thread Sai Kumar Ramadugu

Dear All, I'm running set of umbrella sampling simulations to get the PMF of a disaccharide binding to a protein. I followed the tutorial provided by Justin and changed the values of necessary parameters according to my system. The mdp file for umbrella sampling simulations is as follows: -