Re: [gmx-users] Problem calculating RMSD with gromos

Hi Melchor, So what did you expect, what did you do, and what did you get? Cheers, Tsjerk On Tue, Jul 2, 2013 at 2:45 PM, Melchor S. wrote: > Hi all, > > I am trying to calculate an RMSD of two simulations. All the setting are > equal for both, but i use OPLS in one and for the other gromos

[gmx-users] Problem calculating RMSD with gromos

Hi all, I am trying to calculate an RMSD of two simulations. All the setting are equal for both, but i use OPLS in one and for the other gromos53a6. I wanted to calculate the RMSD between the trajectory and the crystallographic structures(Open and closed forms). The simulation involves a protein