[gmx-users] Re: Diagonalizing matrix (g_covar)

I'm trying to obtain eigenvalues as well as eigenvectors from the matrix by diagonalizing it. I don't know, is there a way to simplify the problem? How about scalapack or mkl? I heard that those two pose same problems as well. Thank you. -- View this message in context: http://gromacs.5086

[gmx-users] Diagonalizing matrix (g_covar)

Hello! I'm trying to diagonalize the matrix by using g_covar. However my matrix is too large (5x5) so it won't diagonalize the matrix. Is there a different software or different command that I could try to use in order to diagonalize my matrix as quickly as possible? Thank you. --

[gmx-users] Topolbuild configuration

Hello! I'm trying to download topolbuild1_2_1 in my Mac computer. I understand that the executable file is in the same directory as the Makefile. I also understand the thing about the PATH. For different files I have downloaded, I was able to ./configure it and use make, but for topolbuild, I wa