AMBER Archive (2006)

Subject: AMBER: ptraj distance matrix

From: Holly Freedman (holly_at_mercury.hec.utah.edu)
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)

Thanks,
--Holly
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