VMD-L Mailing List

From: Enrico Martinez (jmsstarlight_at_gmail.com)
Date: Tue Sep 06 2022 - 03:22:44 CDT

Dear VMD users!
I need to protonate a small molecule using the Molefacture plugin. I
have already done it via VMD gui and now would like to test batch mode
that should be activated using:
 vmd -dispdev text -e input.file |& output.file

Could you please suggest to me a possibility of the script which will
call Molefacture from the script for such purpose?
Many thanks in advance
Enrico