Re: [gmx-users] Periodic Boundary Condition Issues

2009-07-23 Thread Omer Markovitch
Try combining indices with that, use "make_ndx -h". --Omer. Koby Levy research group, Weizmann Institute of Science. FAX: 972-77-444-7905 http://www.weizmann.ac.il/sb/faculty_pages/Levy/ On Wed, Jul 22, 2009 at 18:27, Justin A. Lemkul wrote: > The trjconv -pbc options were designed to fix this

Re: [gmx-users] Periodic Boundary Condition Issues

2009-07-22 Thread Justin A. Lemkul
Cooper, David R wrote: Hello, I am trying to analyze the trajectory of the estrogen receptor alpha in water. As you know, the ER is a dimer and as such when it approaches the boundary for the simulation one of the monomers jumps to the other side of my box and thus screws up any post simul

[gmx-users] Periodic Boundary Condition Issues

2009-07-22 Thread Cooper, David R
Hello, I am trying to analyze the trajectory of the estrogen receptor alpha in water. As you know, the ER is a dimer and as such when it approaches the boundary for the simulation one of the monomers jumps to the other side of my box and thus screws up any post simulation calculations that we a