[gmx-users] Coulomb Interactions
Mark.Abraham at anu.edu.au
Wed Nov 25 01:10:30 CET 2009
nishap.patel at utoronto.ca wrote:
> Does anyone know how I can turn off the coulomb interactions in the .mdp
> file? I tried to change the values of rcoulomb to 0, but it doesn't work.
There's no ready way to do this and it's normally not a sensible thing
to do. Zeroing the charges in the .top file will work. rcoulomb == 0 has
a different meaning, if you read section 7.3.
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