From: Amira Yu (
Date: Wed Mar 25 2015 - 22:09:15 CDT

Hi all,

I'm trying to run a large number of parameterization processes using
FFTK, with different input files, parameters, etc. for each run. Is
there a way to do so? It would be very repetitive and time-consuming
to set the input files and parameters by hand with a mouse for each

I see that in for example the "Opt. Torsions" tab, there's "Build run
script" that generate a tcl program, I can then write a program to
modify this tcl file, and run it in VMD's text mode or the tcl
console. But in for example "Opt. Geometry" tab, there's no such
functionality. Is there a way to do this for all the fftk features in
general? I've tried to use "Log tcl commands to file" but with no


YU "Amira" Yue