[gmx-users] coordination atoms of ion
dehghanmarzieh at gmail.com
Tue Oct 6 18:43:54 CEST 2015
Hi every body
I have a protein which contains 6 calcium ions. after running MD with
gromacs, output file resulting from MD superimpose input file. it showed
calcium ions weren't in their origin coordinate.
I would like to define coordination atoms for calcium ions. please let me
know how I can solve this problem?
thanks a lot
*Marzieh DehghanPhD Candidate of BiochemistryInstitute of biochemistry and
Biophysics (IBB)University of Tehran, Tehran- Iran.*
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