Hi, BioVEC is a tool for visualizing molecular dynamics simulation data while allowing coarse-grained residues to berendered as ellipsoids. http://www.phas.ubc.ca/~steve/BioVEC/BioVECindex.html
2011/5/10 Mark Abraham <mark.abra...@anu.edu.au> > On 10/05/2011 8:23 PM, lammps lammps wrote: > >> Hi, >> I want to study the shape change of a macromolecule which seems like a >> ellipsoid. So, I need obtain the three principal moments of the molecules. >> Is the command of g_gyrate helpful for me? The sum of the three principal >> moments should be equal to the <Rg^2>. However, I used the command g_gyrate >> -f traj.gro -s nvt.tpr -n anly.ndx -o shape.xvg -p obtain the Rg and other >> three qualities. >> It seems that the sum of the last three qualities is not equal to the >> Rg^2. Is there something wrong? >> > > Why should that sum equal Rg^2? > > 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/Support/Mailing_Lists/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/Support/Mailing_Lists > -- Ahmet YILDIRIM
-- 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/Support/Mailing_Lists/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/Support/Mailing_Lists