Re: [gmx-users] value of an angle

On 26/02/2010 1:11 AM, Carla Jamous wrote: Thank you for your replies, indeed it worked! But now, I'm looking for a command line that allows me to calclulate the RMSF (or if you prefer, the distance between Calpha) between 2 static structures. Look in section 7.4 of the manual for a run-down on

Re: [gmx-users] value of an angle

Thank you for your replies, indeed it worked! But now, I'm looking for a command line that allows me to calclulate the RMSF (or if you prefer, the distance between Calpha) between 2 static structures. Carla On Thu, Feb 25, 2010 at 11:55 AM, Amir Marcovitz wrote: > Hi, > > if you are interested i

Re: [gmx-users] value of an angle

Hi, if you are interested in a particular angle (between a triad of atoms) you can specify it in angle.ndx file (to generate the angles run: mk_angndx -s topol.tpr -n angle.ndx) the -ov flag of g_angle will generate the angle trajectory and the -od flag will generate its distribution cheers On

Re: [gmx-users] value of an angle

Carla Jamous wrote: Hi everyone, please I'm trying to find a way to calculate the value of an angle during the time of my simulation. g_angle calculates a distribution or an average. If you're only interested in a single angle, then g_angle -ov (with a suitable index group) does what you w

[gmx-users] value of an angle

Hi everyone, please I'm trying to find a way to calculate the value of an angle during the time of my simulation. g_angle calculates a distribution or an average. Thanks, Carla -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the