[gmx-users] g_velacc g_dos not match!

xy21hb xy21hb at 163.com
Wed Sep 24 18:06:15 CEST 2014

dear all,

it seems that the output of g_velacc, i.e. -o vel.xvg -os spec.xvg
do not match that of g_dos, i.e. -vacf vel.xvg -dos spec.xvg, respectively,
is there any reason for that?

My version is 4.6.4, and I use 2 fs for time integration.



More information about the gromacs.org_gmx-users mailing list