Hi Mark, Thanks for the information. Actually in 7.4 I found only g_rotacf and g_angle also g_sgangle that calculate rotation and angle correlation function and in appendix D I could not find related topic... I appreciate if someone gives me more detail to do the job. I want to calculate <R(0).R(t)> that R is coordinates vector R(x,y,z) for pure spce water. Also I have a question related to having a coordinate file. I did a command as trajconv -f md.trr -n f.ndx -o md.xtc I am supposing in this case md.xtc contains only x,y,z coordinates. Is that true?? Many Thanks in Advance/Jamie
On Thu, Aug 20, 2009 at 8:02 PM, Mark Abraham <mark.abra...@anu.edu.au>wrote: > Jamie Seyed wrote: > >> Dear all, >> Is there any tool in gromacs that can calculate time correlation >> function <R(0).R(t)> ??? R(x,y,z). Many Thanks in Advance/Jamie >> > > Yes, various tools can calculate (auto)correlation functions. See manual > section 7.4 and appendix D. > > Mark > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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