[gmx-users] Custom forcefield tutorial?

Michał Kadlof m.kadlof at cent.uw.edu.pl
Fri Mar 18 11:41:40 CET 2016


I would like to perform some simulations with my own simple forcefield.
Just a chain of beads, with Lenard-Jones, some harmonic and angle potential, and play with it's parameters.
I don't want to write all the computing part from the scratch. I rather to use Gromacs (if it is possible?), especially that MPI and GPU support is expected here.

I didn't find any suitable documentation or tutorial for this purposes.

Can you help me with this issue or give some advice?


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