Re: [gmx-users] PMF when pulling in -Z direction

2011-11-04 Thread Justin A. Lemkul
bars will be as wild as the values in the PMF plot. -Justin Best, nahren *From:* Justin A. Lemkul *To:* nahren manuel ; Discussion list for GROMACS users *Sent:* Friday, November 4, 2011 7:44 PM *Subject:* Re: [gmx-

Re: [gmx-users] PMF when pulling in -Z direction

2011-11-04 Thread nahren manuel
, approx. 1 ns runs in 5 windows) Best, nahren From: Justin A. Lemkul To: nahren manuel ; Discussion list for GROMACS users Sent: Friday, November 4, 2011 7:44 PM Subject: Re: [gmx-users] PMF when pulling in -Z direction nahren manuel wrote: > Dear Grom

Re: [gmx-users] PMF when pulling in -Z direction

2011-11-04 Thread Justin A. Lemkul
nahren manuel wrote: Dear Gromacs Users, I am trying to study ligand unbinding adopting Umbrella sampling (using Gmx 4.5.3). during my initial pull to generate configurations for umbrella windows I have pulled in the -Z direction, @ s0 legend "0 Z" @ s1 legend "1 dZ" 0.7.37361-0

[gmx-users] PMF when pulling in -Z direction

2011-11-04 Thread nahren manuel
Dear Gromacs Users, I am trying to study ligand unbinding adopting Umbrella sampling (using Gmx 4.5.3). during my initial pull to generate configurations for umbrella windows I have pulled in the -Z direction, @ s0 legend "0 Z" @ s1 legend "1 dZ" 0.    7.37361    -0.33625 0.0200    7.37377