[gmx-users] doing averages using g_angle
kgp.amit at gmail.com
Wed Dec 2 21:59:53 CET 2009
Yes I understand what you are saying.
On Wed, Dec 2, 2009 at 12:50 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> Amit Choubey wrote:
>> On Wed, Dec 2, 2009 at 12:07 PM, Justin A. Lemkul <jalemkul at vt.edu<mailto:
>> jalemkul at vt.edu>> wrote:
>> Amit Choubey wrote:
>> Hi Mark,
>> That is true. But what does the manual refer to when it says
>> the first graph is the average, the rest are the individual angles
>> what and where are the rest? I am only curious because there
>> might be a hidden feature that could be useful for me.
>> Read all of the help information; the command in the .xvg file below
>> shows that you're not yet using the right output options. Hint:
>> look at the sentence in g_angle -h before the one quoted above, as
>> well as the -ov flag...
>> -ov flag gives the average value of angle of the group with time. This is
>> not very useful for me right now.
> By using -ov -all, the first column is the average of all groups analyzed,
> and probably is not useful for your purpose, but the subsequent columns are
> the value of the chosen angles at each time frame. From these data, you
> could pretty easily write a script that calculates the distributions by
> 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