[gmx-users] Gromacs 3D maps

Alex alexbioinfo at yahoo.com
Thu Nov 17 14:24:57 CET 2011

Dear all,

I'd like to transform an md gromacs trajectory in a 3d maps set.
I mean that every 100ps, I need to export frame coordinates to a 3d map.
Than I need to compare a map with the following.
Could give me any advice about tools/software to use?

Additionally I need to export the coordinate (x,y,z) of atom's protein, deriving
from MD trajectory, to a matrix where each columns are frame number, 1-n
atoms'positions (x,y,z coordinates).
Any suggestion?

Thanks in advance

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