[gmx-users] WCA potential
argyriosk at yahoo.com
Mon Nov 26 16:51:57 CET 2007
i am using a WCA potential and PME to calculate the non-bonded interactions of monomers of polyelectrolyte chains and counterions in solution.
i use a table.xvg file where i have inserted the WCA potential (given values to x,f(x),f''(x),g(x),g''(x),h(x),h''(x) as is explained in the manual). is that the only way to insert the WCA potential in gromacs or i can do that automatically from the input file?
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