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 9
atoms. Thus, the 10th atom is indexed as 0, and 11th atom as 1, and so
on.
So if the index file for my group has an entry of 1, how c
Hi,
The numbering of the coordinate file is not significant for this, precisely
for that reason.
Mark
On Wed, Dec 6, 2017, 7:20 AM ZHANG Cheng <272699...@qq.com> wrote:
> Dear Gromacs,I am doing the RMSD calculation for a particular group of
> protein residues. My system also has water molecule
t;;;
Date: Wed, Dec 6, 2017 04:34 AM
To: "gmx-users";
Cc: "gromacs.org_gmx-users"; "ZHANG
Cheng"<272699...@qq.com>;
Subject: Re: [gmx-users] How the index is recognised for values more than
9?
Hi,
The numbering of the coordinate file is not signi
On 12/6/17 8:48 AM, ZHANG Cheng wrote:
Hi Mark,
I only calculate the RMSD for a particular group. So I need to use a index
file, which explicitly indicates the atom indices within that group.
1) So if that group indices contain "1 2 3 ...", the Gromacs software will
always assume they are 1
