[gmx-users] about sa_surface_tension

[Christian Mücksch]

  Dear all,

when using implicit solvent models, the sa_surface_tension parameter is 
set to 2.092 kJ/mol/nm2 by default.

However in Gromacs benchmarks with dihydrofolate reductase this 
parameter is set to 2.25936.

Can someone please explain this parameter and in how far this would 
change the simulation outcome.

Kind regards,

-- 
Christian Mücksch
Department of Physics
TU Kaiserslautern
Erwin Schrödinger Straße
67663 Kaiserslautern
Germany

Phone: +49 (0)631 205 4287
Email: muecksch at rhrk.uni-kl.de