Search found 3 matches

by Daniel Alejandro Matoz Fernandez
Fri Nov 28, 2014 7:47 am
Forum: OpenMM
Topic: Dissipative Particle Dynamics (DPD)
Replies: 6
Views: 842

Re: Dissipative Particle Dynamics (DPD)

Dear Lee-Ping. My idea is to simple simulate a cell using two point particles in order to have cell division. That means, should be exist a intracellular potential that push away the two point particles within the cell until some critical distance. I been thinking that is possible to do that using a...
by Daniel Alejandro Matoz Fernandez
Thu Nov 27, 2014 4:05 pm
Forum: OpenMM
Topic: Dissipative Particle Dynamics (DPD)
Replies: 6
Views: 842

Re: Dissipative Particle Dynamics (DPD)

Thank you for your swift response. Indeed, you have a damping force + a random force. This ensure you have momentum conservation on the system. The damping force and the random force are usually linked via the dissipation fluctuation theorem. In order to have the correct integrator you need to modif...
by Daniel Alejandro Matoz Fernandez
Thu Nov 27, 2014 1:30 am
Forum: OpenMM
Topic: Dissipative Particle Dynamics (DPD)
Replies: 6
Views: 842

Dissipative Particle Dynamics (DPD)

Hi! I am new in this stuff. But I would like to know if it possible to apply a DPD (Dissipative particle dynamics) thermostat using openMM. On the other hand, I am trying to simulate a system compose by a molecule with to atoms. The think is there are intra molecular forces and extra molecular force...