RE: [gmx-users] Potential Energy Landscape

2011-11-29 Thread Natalie Stephenson
s.org] on behalf > of Natalie Stephenson [natalie.stephen...@postgrad.manchester.ac.uk] > Sent: 14 November 2011 12:15 > To: jalem...@vt.edu; Discussion list for GROMACS users > Subject: RE: [gmx-users] Potential Energy Landscape > > > Fro

Re: [gmx-users] Potential Energy Landscape

2011-11-21 Thread Mark Abraham
ubject: RE: [gmx-users] Potential Energy Landscape From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Justin A. Lemkul [jalem...@vt.edu] Sent: 21 October 2011 13:25 To: Discussion list for GROMACS users Subject: Re: [gmx-us

RE: [gmx-users] Potential Energy Landscape

2011-11-21 Thread Natalie Stephenson
2011 12:15 To: jalem...@vt.edu; Discussion list for GROMACS users Subject: RE: [gmx-users] Potential Energy Landscape From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Justin A. Lemkul [jalem...@vt.edu] Sent: 21 October 2011 13:25 T

RE: [gmx-users] Potential Energy Landscape

2011-11-14 Thread Natalie Stephenson
From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Justin A. Lemkul [jalem...@vt.edu] Sent: 21 October 2011 13:25 To: Discussion list for GROMACS users Subject: Re: [gmx-users] Potential Energy Landscape Natalie Stephenson

Re: [gmx-users] Potential Energy Landscape

2011-10-21 Thread Justin A. Lemkul
n behalf of Justin A. Lemkul [jalem...@vt.edu] Sent: 12 October 2011 18:22 To: Discussion list for GROMACS users Subject: Re: [gmx-users] Potential Energy Landscape Natalie Stephenson wrote: I was recently told in passing that it would be possible to construct a 'potential energy landscape'

RE: [gmx-users] Potential Energy Landscape

2011-10-21 Thread Natalie Stephenson
hester M1 7DN x65816 From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Justin A. Lemkul [jalem...@vt.edu] Sent: 12 October 2011 18:22 To: Discussion list for GROMACS users Subject: Re: [gmx-users] Potent

Re: [gmx-users] Potential Energy Landscape

2011-10-12 Thread Justin A. Lemkul
Natalie Stephenson wrote: I was recently told in passing that it would be possible to construct a 'potential energy landscape' from the simulations I have performed. This way I could remove any loading rate differences between simulations and experimental force experiments I've been performi

[gmx-users] Potential Energy Landscape

2011-10-12 Thread Natalie Stephenson
I was recently told in passing that it would be possible to construct a 'potential energy landscape' from the simulations I have performed. This way I could remove any loading rate differences between simulations and experimental force experiments I've been performing ... however I cannot find