[gmx-users] "Covariance Matrix" to square matrix.

2010-01-11 Thread yoochan,myung
Hi. I have two questions. 1. How to get Matrix form(readable) of eigenvector (in normal mode analysis) from eigenvector.trr ? 2. I got covariance matrix file "Covar.dat" and there are 3675 x 3 matrix , not 105 x 105 matrix. So, How can I change 3675 x 3 matrix to 105 x 105 ? Regards. yoo

Re: [gmx-users] covariance matrix

2006-04-13 Thread Tsjerk Wassenaar
Hi Maki,Personally, for the fifth row I would expecty1x2 y1y2 y1z2etc.. Inferred from the logic of the first four rows. But that's the best I can do without having a look at the code ;)Cheers, TsjerkOn 4/13/06, [EMAIL PROTECTED] <[EMAIL PROTECTED] > wrote: Hi! I am not quite sure I have understood

[gmx-users] covariance matrix

2006-04-13 Thread yoshizawa006
Hi! I am not quite sure I have understood the way the ASCII version of the covariance matrix (-ASCII option of g_covar) has been constructed... In my test system I have 3 atoms - this will give a 9X9 cov. matrix. In the help of g_covar the order the covar.dat file is: first row: x1x1 x1y1 x1z1  se