[gmx-users] free energy landscape question

Marc F. Lensink lensink at bigre.ulb.ac.be
Wed Jun 23 11:34:23 CEST 2010

On Wed, Jun 23, 2010 at 10:20:19AM +0100, Kukol, Andreas wrote:
> Yes, that is an interesting question. I don't know the answer, but is there any way to get the numerical values of the matrix from Gromacs tools that produce a matrix in xpm format ? I have problems with g_rms and g_rmsdist is another candidate.

probably the easiest is to look at the code and print out the matrix
before it's sent to the xpm plotting routine.

you can also convert the xpm afterwards, but I guess the data then
gets quantized.


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