Re: [gmx-users] Gibbs free energy landscape Vs. the stability of protein structure

2015-09-22 Thread David van der Spoel
On 22/09/15 07:42, Naba wrote: Thank you Justin. I have to deduce some inference from this figure. Please make me out about the following queries. On Mon, Sep 21, 2015 at 5:48 PM, Justin Lemkul wrote: On 9/21/15 4:00 AM, Naba wrote: Dear Gromacs users and Developers, I

[gmx-users] Gibbs free energy landscape Vs. the stability of protein structure

2015-09-21 Thread Naba
Dear Gromacs users and Developers, I have performed dihedral PCA for 4 extracellular loops of a transmembrane protein after successfully finishing 100 ns of simulation at 300 and 310 K. I obtained figures for each loops for two different temperatures as in this link:

Re: [gmx-users] Gibbs free energy landscape Vs. the stability of protein structure

2015-09-21 Thread Naba
Thank you Justin. I have to deduce some inference from this figure. Please make me out about the following queries. On Mon, Sep 21, 2015 at 5:48 PM, Justin Lemkul wrote: > > > On 9/21/15 4:00 AM, Naba wrote: > >> Dear Gromacs users and Developers, >> >> I have performed

Re: [gmx-users] Gibbs free energy landscape Vs. the stability of protein structure

2015-09-21 Thread Justin Lemkul
On 9/21/15 4:00 AM, Naba wrote: Dear Gromacs users and Developers, I have performed dihedral PCA for 4 extracellular loops of a transmembrane protein after successfully finishing 100 ns of simulation at 300 and 310 K. I obtained figures for each loops for two different temperatures as in this

Re: [gmx-users] Gibbs free energy landscape Vs. the stability of protein structure

2015-09-21 Thread Padmani Sandhu
Sorry, I have posted my reply in wrong thread. On Tuesday, September 22, 2015, Padmani Sandhu wrote: > Hello justin, > > Thanks, actually I want to study movement of protons along the lenght of a > water channel. > > > Regards, > > > Padmani > > On Monday, September

Re: [gmx-users] Gibbs free energy landscape Vs. the stability of protein structure

2015-09-21 Thread Padmani Sandhu
Hello justin, Thanks, actually I want to study movement of protons along the lenght of a water channel. Regards, Padmani On Monday, September 21, 2015, Justin Lemkul wrote: > [image: Boxbe] This message is eligible > for Automatic Cleanup!