[gmx-users] How to handle incomplete PDB file?
nomadoro at gmail.com
Tue Mar 3 14:08:13 CET 2009
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 A. Lemkul
> Graduate Research Assistant
> ICTAS Doctoral Scholar
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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Department of Physics
Nanjing University, China
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