Combining Drude structures

From: Jeff Comer (
Date: Mon May 16 2016 - 16:25:32 CDT


Does anyone have a solution for combining two Drude structures? psfgen
1.6.4 will combine them without an error, but the THOLE information is
not included. I can't use Charmm-gui because one of the structures has
some custom Drude parameters. I could write a script to parse the PSF
files, but I just wondered if there is a better solution.


Jeffrey Comer, PhD
Assistant Professor
Institute of Computational Comparative Medicine
Nanotechnology Innovation Center of Kansas State
Kansas State University
Office: P-213 Mosier Hall
Phone: 785-532-6311

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