VMD-L Mailing List
From: Zeinab Emami (zemami_at_ku.edu.tr)
Date: Mon Oct 20 2014 - 11:34:17 CDT
I am trying to test production of parameter files following the molefacture
tutorial and these video series about ffTK:
I loaded my molecule to VMD, then invoked molefacture, edited the atom
names, charges and type. then using "file/ write psf and pdb file" produced
the psf and pdb files I need for the ffTK procedure. [VIDEO 1]
Then, I loaded the psf and pdb file in fftk/BuildPar/Identify Missing
Parameters and produced the parameter file, as it is described in the video
The proper parameter file, as shown in video 2, should contain the atoms
and the values for bonds, angles and so on; and the values are set to zero.
Although, in the parameter file I got, there is no value, just comments; it
seems to me that VMD cannot read the pdb and psf files produced by
I hope these info are enough.