[gmx-users] best way to generate .pdb files?

Justin A. Lemkul jalemkul at vt.edu
Tue Jun 9 00:00:35 CEST 2009

Joseph Johnson wrote:
> I am currently using chembiodraw to draw my molecular structure but it 
> does not generate an adequate pdb file.  what is the best way to make 
> them?  i feel like my only hold back right now is the pdb file.

Search the PDB for available ligands, or use the JME editor built into PRODRG.


> thank you for your help :) 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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