[gmx-users] pdb2gmx not recognizing disulfides

Russell Green russellwgreen at gmail.com
Mon Jul 2 20:31:07 CEST 2007

Thanks for the tip. I didn't think to try it. But if I plan to do any
electrostatics I still need the tpr file right? So I would need to produce a
top file. Mark, you mentioned making the S-S bonds by hand.

>You still won't get them bonded with this procedure... you need a .top
>file with S-S bonds, and you get that by producing one by hand or using

Could you or anyone else point me in the right direction to do this?

Again, thanks for all the help and insight.

Russell Green
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