Hello all,
I have generated a movie of 300 snapshots (MD simulation trajectory).
How can i calculate dihedral angles for same four atoms across the
trajectory (or a movie)??
I mean get_dihedral 58/n,58/c,58/ca,58/cb values 300 times for each
snapshot.
Regards
Tasneem
Hi Tasneem,
python
for state in range(1, cmd.count_states() + 1):
angle = cmd.get_dihedral(58/N, 58/C, 58/CA, 58/CB, state)
print state, angle
python end
Cheers,
Thomas
Tasneem Ali wrote, On 01/10/13 17:08:
Hello all,
I have generated a movie of 300 snapshots (MD simulation