[gmx-users] Force-switch algorithm

Pallavi Banerjee pallavisept at students.iiserpune.ac.in
Mon Jan 4 09:48:25 CET 2016


Thank you for your reply, Mark! I have now thought of modifying my input
potential, that is, making changes to the tabulated form of potential. I
don't really understand the difference between the algorithms of
force-switch and potential-switch. Does force-switch algorithm directly act
on the forces without making changes to the potential? Is the
potential-switch function the integrated form of the force-switch function
or is it different altogether?

Many Thanks!

-Pallavi Banerjee


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