Dear all,
I want to calculate two-dimensional free energy surface along reaction
coordinate( distances, r and d )
using umbrella sampling and WHAM method .
I could calculate one-dimentional case using these methods, but I don't know
how to make
Input file on two-dimentional case.
Could you please tell me how to make the input file ?
Thank you.
Atsutoshi
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Received on Wed Jul 05 2006 - 06:07:11 PDT
