VMD-L Mailing List

From: Mayne, Christopher G (cmayne2_at_illinois.edu)
Date: Fri Aug 09 2013 - 11:26:52 CDT

Surya,

Optimizations can be run in text mode, and it's pretty straightforward to figure out. Set up the optimization using the GUI as usual, except under the "advanced settings" section, check the box marked "Build Run Script." Now click on the "Run Optimization" button; instead of launching the optimization in the GUI, ffTK will generate a Tcl file in the same directory as specified for the output log file. You should be able to run this script from your command line with something like:

vmd -dispdev text -e ChargeOptScript.tcl

Regards,
Christopher Mayne

On Aug 9, 2013, at 8:00 AM, surya narayanan chandrasekaran wrote:

How can i run FFTK in command line window? is there is a way to do it ? kindly let me know? 

--
Suryanarayanan C
M.S Chemist
01742857830