Re: [gmx-users] GROMACS OPLS-AA question

2015-09-12 Thread Barnett, James W
On Thu, 2015-09-10 at 11:32 -0600, Eric Smoll wrote: > Hello GROMACS users, > > I am interested in using the OPLS-AA as implemented in GROMACS. > The OPLS-AA forcefield omits all nonbonded (Coulomb and LJ) > interactions 1 > and 2 bonds away. Nonbonded interactions 3 bonds are away are scaled > by

[gmx-users] GROMACS OPLS-AA question

2015-09-10 Thread Eric Smoll
Hello GROMACS users, I am interested in using the OPLS-AA as implemented in GROMACS. The OPLS-AA forcefield omits all nonbonded (Coulomb and LJ) interactions 1 and 2 bonds away. Nonbonded interactions 3 bonds are away are scaled by 1/2. Nonbonded interactions are applied without modification for a