[gmx-users] How the index is recognised for values more than 99999?

ZHANG Cheng 272699575 at qq.com
Tue Dec 5 21:19:16 CET 2017

Dear Gromacs,I am doing the RMSD calculation for a particular group of protein residues. My system also has water molecules so there are more than 99999 atoms. Thus, the 100000th atom is indexed as 0, and 100001th atom as 1, and so on.

So if the index file for my group has an entry of 1, how can the gromacs know it is the 1st atom, instead of the 100001th atom?

Thank you.

Yours sincerely

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