Re: [gmx-users] Thiolate cysteine

On 5/6/13 7:03 AM, Sathish Kumar wrote: I want to do simulation of protein at pH 12, in this case experimentally reported that the disulphide bonds of protein was broken and sulphurs become S negative . Can you please tell me making of disulphide as S- and S- is it correct and how to set

Re: [gmx-users] Thiolate cysteine

Thank you sir On Mon, May 6, 2013 at 4:39 PM, Justin Lemkul jalem...@vt.edu wrote: On 5/6/13 7:03 AM, Sathish Kumar wrote: I want to do simulation of protein at pH 12, in this case experimentally reported that the disulphide bonds of protein was broken and sulphurs become S negative .