Re: [AMBER] load amber trj using vmd automatically

From: Daniel Roe via AMBER <amber.ambermd.org>
Date: Tue, 7 Feb 2023 20:30:58 -0500

Hi,

VMD detects files based on extension. I forget what the recognized
extension is for Amber ASCII trajectories - I think it's ".crd" for
trajectories without box coordinates and ".crdbox" for trajectories
with box coordinates, but you should double check that. Just rename
your files with the proper extension.

-Dan

On Tue, Feb 7, 2023 at 3:17 PM laura zhang via AMBER <amber.ambermd.org> wrote:
>
> Dear Amber users,
>
> I generated multiple amber trj files. I tried to load all the trj files using a tcl code with the content as below:
>
> set mol [mol new pcsk9.wet.complex.parm7 type parm7]
> mol addfile pcsk9.wet.complex.pdb
> for {set i 10 } {$i < 13 } { incr i } {
> mol addfile $i.prod-unwrap.trj
> }
>
> Then I typed the following on the command line to run it:
> > vmd -dispdev text -e add_dcd.tcl
>
> But I got the following error message on the screen:
>
> gromacsplugin) Cannot read header fromm '10.prod-unwrap.trj', no error
> ERROR) Could not read file 10.prod-unwrap.trj
> Unable to load file '10.prod-unwrap.trj' using file type 'trj'.
>
> I am wondering where is wrong in above. How to fix it? Thanks a lot.
>
> Laura
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Received on Tue Feb 07 2023 - 18:00:02 PST
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