VMD-L Mailing List

From: Josh Vermaas (vermaas2_at_illinois.edu)
Date: Mon May 12 2014 - 09:40:55 CDT

Hi John,

Supposing they were numbered appropriately, it shouldn't be too hard.
Use tcl to save yourself the agony of typing all the commands individually.

set mid [mol new]
for { set i 1 } { $i < 100 } { incr i } {
     mol addfile [format "filename-%03d.gro" $i] waitfor all
}

This assumes all the files are named something like "filename-001.gro",
filename-002.gro, etc, all the way up to 100. Change the values as
appropriate. Is there a reason you are using gro files? .gro files imply
gromacs, and VMD can also read in the trajectory files gromacs writes.

-Josh Vermaas

On 5/10/14, 7:49 AM, John Brown wrote:
> Hi,
>
> I have a molecular dynamics simulation which gives me .gro files with
> the atom co-ordinates every x time steps.
>
> Is it possible to view these multiple files as a sequence using VMD to
> see the trajectories?
>
> Any help would be greatly appreciated, thanks.