[gmx-users] Breaking of disulfisde bridges in human insulin

Tsjerk Wassenaar tsjerkw at gmail.com
Mon Jul 8 13:48:13 CEST 2013

Hi Vinita,

I would guess that the other bond would not be made anyway according
to the criteria used by pdb2gmx. Or does it say it's making the bond?
Does the bond appear in the .top file?



On 7/8/13, Vinita Kumari <vinita2293 at gmail.com> wrote:
> Dear gromacs users,
> I want to break two disulfide bonds of human insulin for gromacs
> simulation.when i used the option 'pdb2gmx  -ss' only one bond was prompted
> for selection.If any one can help me plz reply to this mail as soon as
> possible.
>  Thank you
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Tsjerk A. Wassenaar, Ph.D.

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