Re: Aw: [gmx-users] Umbrella sampling- force vs time plots

On 7/9/13 7:38 PM, rookie417 wrote: Thanks Justin and Stephan, One more question, while pulling from the interior of a multiple monomer micelle structure, I used higher force constants (5000 kJ/mol/nm^2) for position restraints on the reference group to keep the system intact. I am assuming t

Re: Aw: [gmx-users] Umbrella sampling- force vs time plots

Thanks Justin and Stephan, One more question, while pulling from the interior of a multiple monomer micelle structure, I used higher force constants (5000 kJ/mol/nm^2) for position restraints on the reference group to keep the system intact. I am assuming that I have to use different pull_k1 for

Aw: [gmx-users] Umbrella sampling- force vs time plots

  From running a bunch of these your pullf.xvg should look like a curve and taper off at the end (go down) or you didnt reach the maximum...with the force I had to play around and started with published work for similar proteins, but had to increase the force from 1000 (published) to 2000, so a la