[gmx-users] simulation of the protein in vacuum

[Nikolai Smolin]

Hallo everybody,

I want to simulate protein in the vacuum (I mean one protein molecule in big box).
Can somebody tell me the some tricks?
What I must do to prepare such sumulations.


thank you in advance

Nikolai Smolin
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Dipl.-Phys. Nikolai Smolin
University of Dortmund
Department of Chemistry
Physical Chemistry I  -  Biophysical Chemistry
Otto-Hahn Str. 6
D-44227 Dortmund
Germany

Office:   C1-06 room 401

Phone:  +49 231 755 3929
Fax:    +49 231 755 3901

E-mails: smolin at pci.chemie.uni-dortmund.de
            nikolai.smolin at uni-dortmund.de
            nikolai.smolin at gmail.com 
WWW:     http://pci.chemie.uni-dortmund.de/~smolin/
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