[gmx-users] Trouble with gmx distance

[Sotirios Dionysios I. Papadatos]

Wow! It worked!!! Thank you so much. It just needed to pass both choices in one line. Thanks again.

________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Vytautas Rakeviius <vytautas1987 at yahoo.com>
Sent: Monday, August 28, 2017 11:28:54 AM
To: gmx-users at 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 your index.ndx for better investigation.



On Monday, August 21, 2017, 9:24:35 PM GMT+3, Sotirios Dionysios I. Papadatos <si.papadatos at edu.cut.ac.cy> wrote:

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 (there

are 1 positions)"
The same happens if I use in -f prod.trr
What might be wrong? Any insights on what to look for? What usually gives this kind of error?
Feel free to ask for any further information.
Thanks in advance
--
Gromacs Users mailing list

* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.
--
Gromacs Users mailing list

* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.