[gmx-users] plot of mutual orienatation
ndhumal at andrew.cmu.edu
Fri Dec 11 20:57:31 CET 2009
I tried to to run g_sgangle.
g_sgangle -f 3.xtc -n ac128-no.ndx -s 3.tpr -od test.xvg
But its giving me following error
Fatal error: Something wrong with contents of index file.
I have ploted the rdf with same index file.
Can you tell me where is the problem
On Fri, December 11, 2009 2:03 pm, Justin A. Lemkul wrote:
> Nilesh Dhumal wrote:
>> Hey All,
>> I am trying to analyze the results of my simulation. I have used the
>> ionic liquid as a solvent which have five member ring. I have a glucose
>> molecule surrounded by ionic liquids. I want to see to plot a angle
>> between the center of mass of glucose and center of five member ring.
>> How can I plot
>> the angle between the center of mass of five member sing sothat I can
>> study of orientation of ionic liquids in presence and absence of
>> glucose. I have run the simulation only of ionic liquids. I tried with
> Try g_sgangle.
> 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
More information about the gromacs.org_gmx-users