subject:"\[gmx\-users\] gmx sorient interpretation"

Re: [gmx-users] gmx sorient interpretation

2017-05-02 Thread Mark Abraham

Hi, On Mon, May 1, 2017 at 9:40 PM Marcelo Depólo wrote: > Hi, > > > I am not sure how to interpret the cos(theta1) around my reference atom. > The help printed is not straightforward when comes to set which atoms forms > the angle theta1. For instance. > > "theta_1:

[gmx-users] gmx sorient interpretation

2017-05-01 Thread Marcelo Depólo

Hi, I am not sure how to interpret the cos(theta1) around my reference atom. The help printed is not straightforward when comes to set which atoms forms the angle theta1. For instance. "theta_1: the angle with the vector from the first atom of the solvent molecule to the midpoint between atoms