[gmx-users] Adding Born Radii for implicit solvent MD
nichith at gmail.com
Mon Feb 10 05:51:06 CET 2014
I want to do a MD with implicit solvent.
What values of the Born radii did you use for Na and Cl ?
Gromacs uses some values for Vdw radii and Gbr that is given in the gbsa.itp
file. from where are these values taken (the literature) ?
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