[gmx-users] Temperature output file

Ali Mohyeddin mohyeddin61 at gmail.com
Thu Oct 22 15:01:07 CEST 2015


Dear all,

I am very beginner to gromacs. I have already simulated a simple protein
using a nice gromacs tutorial.
(
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/index.html
)
Now I want to run some analysis to get the temperatures of protein and
solvent separately. I have entered the following command but nothing
written in temperature.xvg file:

gmx traj  -f  md_0_1.xtc  -s  md_0_1.tpr  -ot  temperature.xvg

May anyone help me?

Best regards,
Ali Mohyeddin


More information about the gromacs.org_gmx-users mailing list