Hi there,
Should I have to use this command fix nvt/sllod instead of fix nvt if
I use fix deform command to simulate tension phenomena?
What effect would it have on the result if I use fix nvt command? What
is the original difference between these two commands?
Thanks.
Libo
Depend on if you want to peform a NEMD
simulation with a SLLOD integrator. See the papers
referenced in the doc pages for these commands.
If you just use fix deform and want compute a
temperature, you will probably want to subtract out
the deformation velocity. See compute temp/deform
for details.
Steve