Hi all, I've carried out the normal mode analysis on my system using g_nmeig command, and from this, I have eigenfreq.xvg, eigenval.xvg, and eigenvec.trr.
However, I was not aware that I can set the number of eigenvector/frequency to be written on XVG files (default is 1 to 50 lowest), and now want to get as many as I can without invoking g_nmeig command. This leads to 2 questions. 1. Is there a way to calculate eigenfreq, and eigenval from eigenvec.trr? 2. If there's none, is there a way to set "-last" flag that it will always output all the frequency and vector values? I've tried "-1" but does not work. I'm using GROMACS 4.5.5. Thanks, Greg
-- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
