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?
[]s,
Roberto
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Received on Wed Jun 06 2007 - 06:07:19 PDT
