Kobi wrote:
Hello,
I'm equilibrating a Barnase/Barstar complex using OLPS Force Field, but
I'm not sure which parameters I should use for PME. at the moment I'm
using the following parameters:
coulombtype = PME
fourierspacing = 0.12
pme_order = 4
rlist = 1.0
rcoulomb = 1.0
rvdw = 1.0
Temperature Coupling ist turne on (berendsen) and Pressure Coupling is
turend off. The size of the box is 4x5.8x10 nm.
thanks
Kobi
These are pretty much standart parameters, so they should be fine...
--
************************************************
Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
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