Re: [gmx-users] Poor sampling in PMF at some points

2016-11-27 Thread Christopher Neale
not have entered this region. From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se on behalf of Alex Sent: 27 November 2016 10:47:40 To: gmx-us...@gromacs.org Subject: [gmx-users] Poor sampling in PMF at some points Dear gromacs user, In my PMF

[gmx-users] Poor sampling in PMF at some points

2016-11-27 Thread Alex
Dear gromacs user, In my PMF calculation by umbrella sampling in z direction, I have surely considered some windows or configuration in z= "... 1.878, 1.886, 1.891, 1.902, 1.911, 1.932, 1.949, 1.959, 1.961 ...", but I do not know why I have poor sampling in the some point which are really close