Re: [gmx-users] Define intermolecular interactions in L-J simulation

2019-10-24 Thread Li, Shi
> > > Den 2019-10-23 kl. 18:22, skrev Li, Shi: > > Dear GMX users, > > > > I am wondering if there is a way to define the intermolecular interaction > > to simulation a binary LJ system. For example, I have two atoms A and B, > > they share the same LJ parameter, and I want to change the

Re: [gmx-users] Define intermolecular interactions in L-J simulation

2019-10-23 Thread David van der Spoel
Den 2019-10-23 kl. 18:22, skrev Li, Shi: Dear GMX users, I am wondering if there is a way to define the intermolecular interaction to simulation a binary LJ system. For example, I have two atoms A and B, they share the same LJ parameter, and I want to change the interaction parameter between A

Re: [gmx-users] Define intermolecular interactions in L-J simulation

2019-10-23 Thread Justin Lemkul
On 10/23/19 12:22 PM, Li, Shi wrote: Dear GMX users, I am wondering if there is a way to define the intermolecular interaction to simulation a binary LJ system. For example, I have two atoms A and B, they share the same LJ parameter, and I want to change the interaction parameter between A

[gmx-users] Define intermolecular interactions in L-J simulation

2019-10-23 Thread Li, Shi
Dear GMX users, I am wondering if there is a way to define the intermolecular interaction to simulation a binary LJ system. For example, I have two atoms A and B, they share the same LJ parameter, and I want to change the interaction parameter between A and B, so that I would expect different