[gmx-users] energy minimization in vacuum

Deepanshi . tdeepanshi248 at gmail.com
Mon Mar 16 16:07:04 CET 2020


Dear all,

I am trying to simulate an all atom protein in water. I wanted to ask that
what is the importance of minimizing the protein in a vacuum. It is not
mentioned in the lysozyme tutorial.

Thanks.

Regards,
Deepanshi


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