Dear all, I would to obtain the semi-axis lengths of a simulated micelle (in Ang) with gromacs. So I have used the g_principal tool (correct ?). My input command was
g_principal_mpi -f bDM-Self_Only_DDM_Center.xtc -s bDM_only.tpr -a1 bDM_Self_Axe1 -a2 bDM_Self_Axe2 -a3 bDM_Self_Axe3 -om bDM_Self_MOI.xvg -dt 10 -b 50000 -e 100000 < bDM_Mol.txt Four files *Self_Axe*.dat and bDM_Self_MOI.dat were generated as expected with four columns. How to deduce the semiaxis lenghts from these files *Self_Axe*.dat files. The documentation of this tool is not very clear. A similar question was posted in the mailing list few days ago, unfortunately no response was given: http://www.mail-archive.com/gmx-users@gromacs.org/msg35963.html Thanks in advance SA
-- 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
