Re: RE: [gmx-users] energy minimisation of carbon nanotubes.

2012-09-16 Thread Marcelo Depolo
...@hotmail.co.ukescreveu: Thank you for your reply and help. Regards Elie Date: Sat, 15 Sep 2012 13:32:06 -0400 From: jalem...@vt.edu To: gmx-users@gromacs.org Subject: Re: [gmx-users] energy minimisation of carbon nanotubes. On 9/15/12 12:49 PM, Elie M wrote: Dear all, I have a small question

Re: [gmx-users] energy minimisation of carbon nanotubes.

2012-09-15 Thread Justin Lemkul
On 9/15/12 12:49 PM, Elie M wrote: Dear all, I have a small question regarding energy minimization. I am minimizing a carbon naotube in vaccuo and my (mdp )input file is: ; ; SWNT (10,0) on its own ; Elie Moujaes, SWNT+polymers project ; Energy minimization input file ; cpp

RE: [gmx-users] energy minimisation of carbon nanotubes.

2012-09-15 Thread Elie M
Thank you for your reply and help. Regards Elie Date: Sat, 15 Sep 2012 13:32:06 -0400 From: jalem...@vt.edu To: gmx-users@gromacs.org Subject: Re: [gmx-users] energy minimisation of carbon nanotubes. On 9/15/12 12:49 PM, Elie M wrote: Dear all, I have a small question regarding