olymacfoogal at gmail.com
Thu Apr 29 11:13:43 CEST 2010
You could load your gro and trr file into vmd, label the angle, save the
file and plot using excel.
On 28 April 2010 22:26, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> Nilesh Dhumal wrote:
>> I am doing solvation of glucose. I am trying to calculate a angle between
>> three selected carbon atoms.
>> If I run g_angle using angle.ndx file it consider all carbon atom. In
>> force field C-C-C 112.5 is specified so it’s making a group of all carbon
>> atoms. I am interested in selected carbon atoms.
>> How can I plot an angle of selected three carbon atoms?
> Make an appropriate index group, which it doesn't sound like you've done.
> If there's a specific angle you want to measure, you don't even necessarily
> need make_ndx, just write the group using a text editor with the appropriate
> atom numbers.
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the www interface
> or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users