[gmx-users] pdb2gmx not recognizing disulfides

[Russell Green]

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
>pdb2gmx.

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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