[gmx-users] RE: 2D umbrella sampling simulation

2013-10-26 Thread mjyang
Dear Chris, Thanks for your information. It is really helpful to me. Mingjun From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] On Behalf Of Christopher Neale [chris.ne...@mail.utoronto.ca] Sent: Friday, October 25, 2013 8:19 PM To: gm

[gmx-users] RE: 2D umbrella sampling simulation

2013-10-24 Thread mjyang
Dear Chris, Thanks for your check. Yes, it should be pull_group2 for C. In this case, the two distances have a reference group B. What about the case in which no common reference group is shared with the two distances, e.g. distance1 is defined as A-B and distance2 as C-D? Can current gromac