AMBER Archive (2007)

Subject: AMBER: Once again, "distance" command in ptraj

From: Roberto Veiga (roberto.sapiens_at_gmail.com)
Date: Mon Jun 04 2007 - 11:47:01 CDT

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_at_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?

[]s,

Roberto

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