AMBER Archive (2006)

Subject: AMBER: ptraj distance matrix

From: Holly Freedman (
Date: Tue Jan 10 2006 - 16:03:36 CST

hi AMBER help,

I ran the following command in ptraj:

trajin ../traj
matrix dist @1-624 out distances

I was expecting to get a matrix of interatomic distances for each atom
in the specified mask and each frame in the trajectory, but I got only
one matrix for each atom in the mask. Is ptraj averaging these
distances over all frames in the trajectory? (This would be nice in fact
for my purpose)

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