[gmx-users] How to obtain a proper structure for glycine?

ZHANG Cheng 272699575 at qq.com
Sun Aug 6 18:08:57 CEST 2017

Dear Gromacs,
I would like to perform simulations for a protein with glycines. 

I think I should use "insert-molecules" as shown on

So I went to PRODRG2 Server to obtain the glycine structure by "text drawing":


But I got a suggested structure of NH3-CH2-COO, instead of NH2-CH2-COOH. Can I ask why is that?

Thank you.

Yours sincerely

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