VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Jan 07 2010 - 12:03:23 CST

On Thu, Jan 7, 2010 at 11:35 AM, MyLinkka <mylinkka_at_gmail.com> wrote:
> Dear,
>
> I tried to use VMD lammps plugin to read some "old style" lammps trj files.
> But the coords. were read incorrectly. I briefly check the source and found
> the plugin does some smart guess for the old style format. But on line
>
> 548 if (j > 4) {  /* assume id type xs ys zs .... format */
>
>
> where j is a return value of sscanf. I think it would be correct
>
> if use (j>5) instead of (j>4).

no. j > 4 is correct.
if you have id type xs ys zs you have 5 items and for that j > 4 is true
and that is how it is supposed to be.

> Forgive me if I'm wrong, then it must be some other
> reason causing my problem.

please provide a (minimal) piece of your dump file,
so that it can be debugged.

in general, backward compatibility with custom dump files
is not at all guaranteed. for atom style dump files a best
effort is made, but only up to the point where it does not
interfere with the new format (which is far superior).

> Thanks the plugin author anyway!

you are most welcome,

    axel (i did not write the original plugin, but the two
            rewrites in the last two versions of VMD).

>
> Ting Li (KUL)
>
> 

-- 
Dr. Axel Kohlmeyer    akohlmey_at_gmail.com
Institute for Computational Molecular Science
College of Science and Technology
Temple University, Philadelphia PA, USA.