[gmx-users] How to read .dat file

Qing Lv lvqingjiejie at 163.com
Wed Jun 14 13:21:27 CEST 2017


I generated a .dat file with the following command:
gmx rms -s xxxx.pdb -f 1.xtc -f2 2.xtc -n index.ndx -o rms.xvg -m rms.xpm -bin rms.dat
But how to read the binary file rms.dat?


The reason is that,
I found the lowest RMSD in RMSD matrix (rms.xpm) is 0.52 nm; how to know which frame in 1.xtc and which frame in 2.xtc have this minimal RMSD?


Thanks,
Qing


More information about the gromacs.org_gmx-users mailing list