[DFTB-Plus-User] Info regarding setting up MD calculations!
prakash jha
prakash_cjha at yahoo.com
Fri Jan 15 14:11:32 CET 2010
Hi!
I am a new user of DFTB-plus. I would like to set up and learn about MD simulations in DFTB. Could you please let me know where I could find detailed information about it?
Let us say I would like to simulate C2F2H4. Could anyobdy help me in doing that.
Thanks
prakash
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