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. Mark