[gmx-users] including missing atoms

Alan Wilter Sousa da Silva alan at lncc.br
Wed Feb 16 12:08:04 CET 2005

Hi List!

I know that GMX warns about missing atoms in PDB, and, if one wants, it'll 
generate an incomplete topology. However, is there no option of pdb2gmx to 
rebuild automagically the missing atoms to complete such deficient residue 
and have a complete topology (but, of course, warned about that)? If I'm 
not wrong, spdbviewer can do that.

If GMX is able to do that, can someone suggest another programme which 
would be able to achieve that automaticaly?

Thanks in advance for any help.


Alan Wilter Sousa da Silva
Projeto BioPAUA - HP/LNCC
Petrópolis (RJ), Brasil

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