Re: [gmx-users] Essential dynamics - concepts

2011-06-09 Thread Kavyashree M
Dear Sir, Thank you Sir for the clarification. Need to explore about this. Thanking you With Regards M. Kavyashree On Wed, Jun 8, 2011 at 2:35 PM, Tsjerk Wassenaar wrote: > Hi Kavya, > > > Thanks sir. I will go through them. However I have referred - > > "A Tutorial on Principle component

Re: [gmx-users] Essential dynamics - concepts

2011-06-08 Thread Tsjerk Wassenaar
Hi Kavya, > Thanks sir. I will go through them. However I have referred - > "A Tutorial on Principle component Analysis" by  Lindsay I Smith. > Which gave a good understanding about the concepts. Still I > have some doubts regarding eigen values, as you have told > I will think over them again. I

Re: [gmx-users] Essential dynamics - concepts

2011-06-06 Thread Kavyashree M
Dear Sir, Thanks sir. I will go through them. However I have referred - "A Tutorial on Principle component Analysis" by Lindsay I Smith. Which gave a good understanding about the concepts. Still I have some doubts regarding eigen values, as you have told I will think over them again. But one sta

Re: [gmx-users] Essential dynamics - concepts

2011-06-06 Thread Tsjerk Wassenaar
Hi Kavya, > Its g_covar contributed by Dr. Rossen apostolov if I am right.  Here it > states that those which are having correlation coefficient better than 0.5 > will be reported, so covariance gives those which have correlation > coefficient > less than 0.5? I don't know the modified version. B

Re: [gmx-users] Essential dynamics - concepts

2011-06-06 Thread Kavyashree M
Dear Sir, Thanks for giving a clearer picture about essential dynamics. I was very eagerly awaiting for a reply. Thanks you very much :). No, ED does not make any assumptions on the nature of motions. It does > not distinguish anharmonic from harmonic motions. It also does not > distinguish

Re: [gmx-users] Essential dynamics - concepts

2011-06-06 Thread Tsjerk Wassenaar
Hi Kavya, On Sat, Jun 4, 2011 at 8:18 AM, Kavyashree M wrote: > Dear Gromacs users, > >  I am new to essential dynamics, I have gone through > some fundamentals in PCS, the mailing list related to ED > and few publications by - > Amadei (Proteins, 17, 412-425, 1993), > a. Amadei (journal of biomo