[gmx-users] amino acids in unusual protonation states

[Markus Metz]

Hi all,

I was wondering how I could deprotonate for example the sulphur in a
Cystein. I was checking the pdb2gmx man page and the amino acids Lys, Asp,
Glu, His are changeable. 
Sorry if this is a FAQ.

Thank you very much,

Markus.





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