Re: [gmx-users] Regarding gmx-user mailing list thread "Gibbs free energy landscape Vs. the stability of protein structure"

2015-09-25 Thread Naba
Dear David sir, Is it feasible to evaluate Gibbs free energy landscape of only the concerned loops from cartesian coordinates? I mean to say is it feasible to extract covariance matrix of my concerned loops from the entire trajectory and then evaluating Gibbs free energy landscape? OR, should I ex

Re: [gmx-users] Regarding gmx-user mailing list thread "Gibbs free energy landscape Vs. the stability of protein structure"

2015-09-24 Thread David van der Spoel
On 24/09/15 13:54, Nabajyoti Goswami wrote: Sir, I am a very big fan of yours and I deeply apologize for mailing this way. Actually I need some outcome within a very short period of time. So, I could not wait for the mailing lists answers. Coming to the point.. Can you please explain the tricks