03 March 2016 9 4K Report

Dear Gromacs users,

I am trying to calculate distance between two specific residues of active site of my protein in MD. I have made separate .index file of two specific groups. Then I am trying this command

" gmx distance -f md_0_1.xtc -s md_0_1.tpr -oav distance.xvg -select -n index.ndx -tu ns ". When I am selecting my residues numbers for option -select in above command. error appeared that pairs are not found in your selection residues (1st residue "11 atoms" and 2nd residue "15 atoms" ). Kindly guide me how I calculate distance between two specific residues in MD.

Thanks,

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