vytautas1...@yahoo.com>
Sent: Monday, August 28, 2017 11:28:54 AM
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Trouble with gmx distance
Two atoms for distance calculation have to be in same selection thus program
expects even number of positions and do not get in my opinion.You could show
yo
Two atoms for distance calculation have to be in same selection thus program
expects even number of positions and do not get in my opinion.You could show
your index.ndx for better investigation.
On Monday, August 21, 2017, 9:24:35 PM GMT+3, Sotirios Dionysios I. Papadatos
Hi, I am trying to calculate the distance between two atoms, which are defined
in an index file. The command that I use is:
"gmx distance -f output.gro -s prod.tpr -n index.ndx -oav distance.xvg"
I get the obvious:
"Selection 'atom_name' does not evaluate into an even number of positions
On 7/10/14, 11:55 PM, Teemu Murtola wrote:
The help text explains this: Each selection specifies an independent set
of distances to calculate. Each selection should consist of pairs of
positions, and the distances are computed between positions 1-2, 3-4, etc.
In other words, the selections
Hi All,
I have encountered a very annoying problem with gmx distance (the 5.0
replacement for g_dist/g_bond) - selections must have an even number of atoms.
Can anyone explain why this is necessary? I designed a minimal test system
(distance between two atoms), and got:
