[gmx-users] Distance Difference Map

Paul Czodrowski pc at rufus.biomed.brown.edu
Thu Oct 24 00:16:54 CEST 2002

Hi Gromacs,

I read something about evaluation of the motion of a protein: they use a
so-called "distance difference map", which take one protein strucuture and
calculates sequentially the distancse between the first C-alpha atom and
all other one. Then it continues with the second C_alpha etc.
I know that this should be really fast to program from scratch, but I'm
not a Pro. So I wanted to ask, if you can something like that with
I know about the program g_msd, but this is limited to a atom (or a group
of atoms) and their initial position.



Paul Czodrowski

Department of Molecular Pharmacology
Biomedical Center
Box G-B4, Brown University
Providence, Rhode Island 02912 USA
Voice: +1 401 863 9841


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