[gmx-users] free energy landscape question

Kukol, Andreas a.kukol at herts.ac.uk
Wed Jun 23 11:20:19 CEST 2010

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.


> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
> On Behalf Of Andrei Neamtu
> Sent: 23 June 2010 01:00
> To: gmx-users at gromacs.org
> Subject: [gmx-users] free energy landscape question
> Hi,
> I am trying to use g_sham to obtain free energy landscape from a simulation.
> I can obtain the .xpm files but I want to know if there is any way of
> obtaining the actual histogram (in a form of a ASCII matrix vith
> numerical values) to use it in some other plotting program to draw
> contour lines plots of the surface
> Many thanks,
> Andrei
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