[gmx-users] restraints in PMF (Justin's tutorial)

Hello, I am trying to obtain the PMF from Umbrella Sampling of the process of separating two monomers of a dimer, following Justin 's tutorial http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/index.html I have done the Umbrella Sampling simulations without

Re: [gmx-users] restraints in PMF (Justin's tutorial)

Rebeca García Fandiño wrote: Hello, I am trying to obtain the PMF from Umbrella Sampling of the process of separating two monomers of a dimer, following Justin 's tutorial http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/index.html I have done the Umbrella

RE: [gmx-users] restraints in PMF (Justin's tutorial)

: [gmx-users] restraints in PMF (Justin's tutorial) Rebeca García Fandiño wrote: Hello, I am trying to obtain the PMF from Umbrella Sampling of the process of separating two monomers of a dimer, following Justin 's tutorial http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx

Re: [gmx-users] restraints in PMF (Justin's tutorial)

wishes, Rebeca. Date: Wed, 22 Jun 2011 10:53:16 -0400 From: jalem...@vt.edu To: gmx-users@gromacs.org Subject: Re: [gmx-users] restraints in PMF (Justin's tutorial) Rebeca García Fandiño wrote: Hello, I am trying to obtain the PMF from Umbrella Sampling of the process

RE: [gmx-users] restraints in PMF (Justin's tutorial)

To: gmx-users@gromacs.org Subject: Re: [gmx-users] restraints in PMF (Justin's tutorial) Rebeca García Fandiño wrote: Hello, I am trying to obtain the PMF from Umbrella Sampling of the process of separating two monomers of a dimer, following Justin 's tutorial

[gmx-users] restraints in PMF (Justin's tutorial)

pull_nstfout= 1000 ; every 2 ps Thanks a lot again for your help. Best wishes, Rebeca. Date: Wed, 22 Jun 2011 10:53:16 -0400 From: jalemkul at vt.edu To: gmx-users at gromacs.org Subject: Re: [gmx-users] restraints in PMF (Justin's tutorial) Rebeca García Fandiño wrote: Hello