Re: [gmx-users] How to perform simulation of carbon nanotube in GROMACS in NPT ensemble?

I just replied to Neha's post. You are having issues that have nothing to do with Gromacs, i.e. Gromacs is simply responding to incorrect system setup. Please generate a proper periodic topology and use a PBC-compatible box. Alex On 10/8/2017 3:47 PM, Ming Tang wrote: Dear list, I have gon

[gmx-users] How to perform simulation of carbon nanotube in GROMACS in NPT ensemble?

Dear list, I have gone through carbon nanotube guide on GROMACS website. http://www.gromacs.org/Documentation/How-tos/Carbon_Nanotube I have a nanotube aligned to z-direction. I am trying t