[gmx-users] pdb2gmx question - protonation

Agnivo Gosai agnivogromacs14 at gmail.com
Sat Feb 7 03:29:23 CET 2015

Dear Users

I am using the default settings for the pdb2gmx program and I leave the
protonation of AA residues to the program.

Can anybody tell me about the default protonation states of LYS, ASP, GLU,
CYS or HIS employed by pdb2gmx ?

I checked the manual but it is not explicitly mentioned. Is there any
literature available. I am sorry if I am asking for too much.

Thanks & Regards
Agnivo Gosai
Grad Student, Iowa State University.

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