[gmx-users] amino acids in unusual protonation states

Markus Metz Markus_Metz at excite.com
Wed Dec 19 20:11:20 CET 2001

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,


Send a friend your Buddy Card and stay in contact always with Excite Messenger

More information about the gromacs.org_gmx-users mailing list