[10-XI-2006]
Hi amber users,
I'm trying to do a ptraj analysis on a Molecular
Dynamics simulation. I have the trajectory file
(single molecule in vacuum, already stabilized) and I
would like to get some information about the 3D
structure. In particular, I'm now interested in the
"radius of gyration".
I've been looking up in the manual's ptraj-section for
any clue but I didn't find anything (by the way, we
mainly work with amber 7). I've also been having a
look at CARNAL and also ANAL sections but neither I
find anything.
I think it is possible to do such calculation with
amber (I heard it anywhere). Can you help me? Does
anyone have any ptraj-input file as an example?
Thank you very much.
Kepa K. Burusco
Universidad Autonoma de Barcelona
BARCELONA (Spain)
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Received on Sun Nov 12 2006 - 06:07:35 PST
