modify NAMD code for Lee-Edwards boundary conditions and compute stress tensor

From: Van Ngo (
Date: Tue Apr 26 2011 - 19:17:47 CDT

Dear NAMD users,
Do any one knows where in NAMD source code I should go to modify
particles' positions for Lee-Edwards boundary conditions?
How do I find all interparticle forces (not total forces) in the
source code for computing stress tensors?
Any help is very much appreciated.


Van Anh Ngo
Graduate Student
Department of Physics & Astronomy
University of Southern California
Los Angeles, CA 90089-0242

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