[Wien] DFT calculation of a Bio-molecule

[Tran, Fabien]

Hi,


?Because of the large size of such molecules, it may be difficult or even impossible. Even more if this is in vacuum. This also depends on the computer power that you have at disposal. How many atoms does contain your molecule?


________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of AJAY SINGH VERMA <ajay_phy at hotmail.com>
Sent: Sunday, August 9, 2020 8:33 AM
To: wien at zeus.theochem.tuwien.ac.at; wien-request at zeus.theochem.tuwien.ac.at
Subject: [Wien] DFT calculation of a Bio-molecule

Dear Sir,


Can we study the DFT calculation of a Bio-Molecule structure (Like Protein molecule) using wien2k.

Ajay Singh Verma
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