[gmx-users] error in running g_dist
writetoash28 at gmail.com
Wed May 22 11:53:47 CEST 2013
I want to calculate the distance between protein and ligand after I have
run the production step. I used the following command..
g_dist -s md_0_1.tpr -f md_0_1.xtc -o dist.xvg -n index.ndx
Groups I selected was
Group 1 (protein)
Group 13 (ligand)
It says the following error
Molecule in topology has atom numbers below and above natoms (11793).
You are probably trying to use a trajectory which does not match the first
11793 atoms of the run input file.
how to debug the error...
Thanking You with Regards.
Ph. D Research Scholar(Cancer & Epigenetics)
Department of Life Science
National Institute of Technology
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