AMBER: Once again, "distance" command in ptraj

From: Roberto Veiga <>
Date: Mon, 4 Jun 2007 18:47:01 +0200

This is my simple ptraj input file

trajin ../prod.mdcrd
center :391 origin
image origin center
strip :WAT,OCT
distance dist :60,157,254,351.CZ,CG,CD*,CE* :391 dist.list

I want to measure the distance between atoms in residue 391 (which is, in
fact, a Na+ ion) and the center of mass of the residues 60, 157, 254, and
351. My parmtop and trajectory files have box information. Why does ptraj
still say that imaging is disabled?



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Received on Wed Jun 06 2007 - 06:07:19 PDT
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