GROMACS version: 2022.2
GROMACS modification: Yes/No
Dear Justin,
I’m training GROMACS by your tutorial entitle “Lysozyme in Water”, at the end of NVT equilibration I tried to obtain the temperature by “gmx energy -f nvt.edr -o temp.xvg”, but the temperature did not appear in the properties box. As I attached below. What happened exactly? What is wrong?
Regards,
Ganj
If those are your energy terms, you’re not doing my tutorial. I can only speak for what is in my tutorial, and not what you may be doing. Investigate your settings, because they are not what you think they are. Temperature will appear if you have a thermostat active. If it doesn’t, you likely haven’t set it properly.
Thank you, dear Justin