[gmx-users] Please help to change the force field

Alexandr Sorochan alexandroik at gmail.com
Thu Mar 25 16:35:08 CET 2010


Hi. I want to test Lennard-Jones 6-12 and 12 potentials:
4 epsilon * ( (sigma/r)^12 - (sigma/r)^6 )
4 epsilon * (sigma/r)^12

How can I do that? What are the settings or configuration files?
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