VMD-L Mailing List

From: Vermaas, Josh (vermaasj_at_msu.edu)
Date: Tue Mar 01 2022 - 09:08:04 CST

Hi Marco,

It sounds like you want to write a tcl script, and then execute it with “vmd -e readfile”. You’ll need to add “mol” commands to your dumpfiles so that VMD does the right thing and understands that it needs to load the files. Right now, you are exploiting the fact that VMD will interpret command line arguments as files that it needs to open, which clearly doesn’t work for actual commands.

-Josh

From: <owner-vmd-l_at_ks.uiuc.edu> on behalf of "Marco Di Gennaro (TME)" <Marco.Di.Gennaro_at_external.toyota-europe.com>
Date: Tuesday, March 1, 2022 at 10:03 AM
To: "vmd-l_at_ks.uiuc.edu" <vmd-l_at_ks.uiuc.edu>
Subject: vmd-l: read setting from text file


• PUBLIC 公開

Hello all,

I would like to store all VMD setting in a text file, to be read multiple times.
I mean for example “pbc box”, or drawing methods to “DynamicBonds” and ideally create a movie.

I have tried “vmd `cat readfile`” where readfile contains all the LAMMPS dumpfiles I want to visualize.
This works, but if I add the topol command (such as “pbc box”), VMD interprets it as another file to read (and issues an ERROR).

Thank you for your help

Best Regards,

Marco


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