[gmx-users] How to handle incomplete PDB file?

[Lee Soin]

Then what should I do?

2009/3/3 Justin A. Lemkul <jalemkul at vt.edu>

>
>
> Justin A. Lemkul wrote:
>
>  Specifying -missing in pdb2gmx doesn't work.
>>>
>>
> Also, don't do this.  Note from the pdb2gmx documentation that this is
> "dangerous."  You will end up with incomplete amino acids, fractional
> charges, and a completely unrealistic model.
>
> -Justin
>
>
> --
> ========================================
>
> Justin A. Lemkul
> Graduate Research Assistant
> ICTAS Doctoral Scholar
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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-- 
Sun Li
Department of Physics
Nanjing University, China
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