[DFTB-Plus-User] MD analysis

Quan Phung Manh manhquank9 at gmail.com
Wed May 5 11:46:11 CEST 2010


Dear DFTB+ users,

I'm running Molecular Dynamics to investigate hydrogen bond of some amino
acids. After calculation, I received geo_end.xyz file which printed the
molecule's configurations of every steps. Now I want to draw
all configurations in this file. I wonder if there is any solution or any
software to do this automatically since it's impossible to do this by hand.
I have used DFTB+ in Materials Studio before and it's easy to analyse
the trajectory file.

Best regards,
PHUNG Manh Quan

-- 
PHUNG Manh Quan
Center for Computational Chemistry
Faculty of Chemistry - College of Science - VNU, Hanoi, Vietnam.
Tel: (+84) 439331898 - (+84) 1663922302
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