What are each of the columns in the dump file when the examples are run (e.g. dump.indent or dump.friction)? Are they co-ordinates and velocities?
Thank you.
Bhavin Vadgama
Graduate Student
Dept. of Mech. Engg.
Auburn University
Hi all,
I was trying to constrain a group of atoms as a rigid body. It seems
that either "fix poems" or "fix rigid" can do the job. Their documentations
are similar. I wonder what is the difference between them. What is the
criteria to choose one instead of the other?
Thanks!
jiwu
The difference between “fix poems” and “fix rigid” is that poems couples to the POEMS software, is typically slower, but has more capability than fix rigid. The additional capability has to do with coupled rigid body dynamics. So if you want to simulate a system of coupled (connected at joints) rigid bodies, you’d use fix poems.
Don’t use either of them if you’re simply trying to prevent atoms from moving. If that’s all you really want to do, just don’t include the “rigid” atoms in the integration fix.
Paul