[gmx-users] How the index is recognised for values more than 99999?
mark.j.abraham at gmail.com
Tue Dec 5 21:34:26 CET 2017
The numbering of the coordinate file is not significant for this, precisely
for that reason.
On Wed, Dec 6, 2017, 7:20 AM ZHANG Cheng <272699575 at qq.com> wrote:
> 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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