Re: [gmx-users] Carbon Nanotube Residue

> I'm new to gromacs and the past week or so I've been digging through the > archives so that I can simulate a carbon nanotube. I've been able find > coordinates for the carbon nanotube as well as the parameters for the > force field. My question is: > > Do I define the parameters in the force fie

Re: [gmx-users] Carbon Nanotube Residue

Justin A. Lemkul wrote: I would recommend reading lots of tutorial material and the Gromacs manual, especially Chapter 5. There are also numerous posts from Chris Stiles that contain a link to a tutorial he set up a while back for doing CNT simulations. I agree, and note that there's some us

Re: [gmx-users] Carbon Nanotube Residue

I would recommend reading lots of tutorial material and the Gromacs manual, especially Chapter 5. There are also numerous posts from Chris Stiles that contain a link to a tutorial he set up a while back for doing CNT simulations. The main point is that you need to generate a topology that cal

[gmx-users] Carbon Nanotube Residue

I'm new to gromacs and the past week or so I've been digging through the archives so that I can simulate a carbon nanotube. I've been able find coordinates for the carbon nanotube as well as the parameters for the force field. My question is: Do I define the parameters in the force field file or c