Re: [gmx-users] questions about umbrella sampling tutorial

On 4/5/13 3:29 AM, Albert wrote: Hello: I am trying to do umbrella sampling for a protein/ligand water system these days following Justin's nice tutorial. And I've got some questions: (1) in the tutorial, the small peptide was pulling along Z direction. I am just wondering, will the small p

[gmx-users] questions about umbrella sampling tutorial

Hello: I am trying to do umbrella sampling for a protein/ligand water system these days following Justin's nice tutorial. And I've got some questions: (1) in the tutorial, the small peptide was pulling along Z direction. I am just wondering, will the small peptide be pulled in both +Z and -Z