[gmx-users] Limitations of simulations?

Fábio Filippi Matioli fabiofima at hotmail.com
Wed Jul 24 07:58:24 CEST 2013

I would like to stop to receive this e-mail, how can i procide?Thanks

Fábio Filippi MatioliGraduando em Física MédicaUNESP-BotucatuTel (19) 9291.6738

> Date: Tue, 23 Jul 2013 22:57:29 -0700
> From: jsabou1 at gmail.com
> To: gmx-users at gromacs.org
> Subject: [gmx-users] Limitations of simulations?
> I just finished this tutorial and found it very informative:
> http://cinjweb.umdnj.edu/~kerrigje/pdf_files/trp_drug_tutor.pdf
> However, This was based on a complex from a pdb.
> I was wondering if it was possible to just simulate the protein without
> complex and put the ligand as a solute and actually have it complex with
> the protein. Obviously, if it could do this it would take a much longer
> time than just simulating a complex, but if given enough time, could it
> complex?
> I have no formal experience with simulations and currently have no one
> around me with enough knowledge on these topic to mentor me, so any help is
> very much appreciated!
> Thank you! :)
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