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

[Justin A. Lemkul]

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

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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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