[gmx-users] Units of Buckingham potential

Mark Abraham Mark.Abraham at anu.edu.au
Mon Nov 14 16:28:19 CET 2011

On 15/11/2011 2:00 AM, xiaojing gong wrote:
> Hi dear all,
> For Buckingham potential, there is three parameters A B C
> In GMX, the units of A B C is the kJ/mol, nm, kJ/mol*nm^6, am I right?

Manual section 2.2 defines the units, and 4.1.2 defines the functional form.


More information about the gromacs.org_gmx-users mailing list