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

[Tsjerk Wassenaar]

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Tsjerk

On Tue, Mar 3, 2009 at 2:08 PM, Lee Soin <nomadoro at gmail.com> wrote:
> 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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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
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