[gmx-users] Force-switch algorithm

Pallavi Banerjee pallavisept at students.iiserpune.ac.in
Sun Jan 3 09:10:04 CET 2016


Thank you for your reply, Justin! From having read about the algorithm in
the manual, it looks like it would be a difficult task to modify the input
potential. Could you suggest other ways of doing the same?

I want to use the vdw-modifier 'force-switch', but the LJ potentials are
fed in a tabulated format. On running the program, I run into the following
error: "Potential modifiers other than potential-shift are only implemented
for LJ cut-off". Could you suggest a work-around?

Many Thanks!

-Pallavi Banerjee


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