[gmx-users] question: atoms with charges in zwetter ions

[Sven Huttenhouse]

Dear all

I'm trying to get a pdb file for Glycine in solution. Glycine form a 
zwetter-ion in water, it has a positive charge on the Nitrogen atom and a 
negative charge on the single bond oxygen atom.
I've generated a .pdb file with these specifications (I assigned the charges 
on columns 79 and 80 according to the pdb format). However I tried to use 
this file with pdb2gmx to get a .pdb file again and I got a file without 
charges at the atoms.
How can I let gromacs recognise the charges on the atoms in such a molecule?

kind regards
Sven

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