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

2012-09-16 Thread Marcelo Depolo
creveu: 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: > > >

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: > > &g

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

[gmx-users] energy minimisation of carbon nanotubes.

2012-09-15 Thread Elie M
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 =/usr/bin/cpp define