From: Hyonseok Hwang (danggi_at_northwestern.edu)
Date: Wed Feb 04 2004 - 17:56:20 CST
We know that we can set up a distance constraint between the center of
masses of two molecules for the calculation of the potential of mean
force. What I want to do is to set up the distance constraint between
the COM of two molecules in my MD simulation, but I don't want to
calculate the PMF. In this case, should I use the same configuration
file as I do for the PMF calculation and then just ignore the PMF
calculation part in the output file?
Thanks a lot!
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