Re: [gmx-users] LJ-SR and LJ-14

2016-08-15 Thread Justin Lemkul
On 8/15/16 6:56 PM, Stella Nickerson wrote: If you want the "total" Lennard-Jones potential between two groups, would you simply add LJ-SR + LJ-14? If so, what is the utility of calculating both potentials separately? LJ-SR are normal nonbonded interactions within the short-range cutoff. LJ

[gmx-users] LJ-SR and LJ-14

2016-08-15 Thread Stella Nickerson
If you want the "total" Lennard-Jones potential between two groups, would you simply add LJ-SR + LJ-14? If so, what is the utility of calculating both potentials separately? -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List b