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 Nilesh 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 >> g_angle. >> > > Try g_sgangle. > > > -Justin > > >> Nilesh >> >> >> > > -- > ======================================== > > > 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 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > > ======================================== > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > 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 [email protected]. Can't post? Read > http://www.gromacs.org/mailing_lists/users.php > > > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users 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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
