[gmx-users] Adding Born Radii for implicit solvent MD

[nichith]

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) ?

--
View this message in context: http://gromacs.5086.x6.nabble.com/Adding-Born-Radii-for-implicit-solvent-MD-tp4678437p5014420.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.