[gmx-users] problem adding H atoms

Stacey Meadley slm289 at cornell.edu
Thu Sep 16 16:18:39 CEST 2010


Hi,
I am using pdb2gmx with amber ff and there is a problem adding the H atom to
the second residue of both chains  of my protein?  The residue at that
location is repeated in later in the chain and has no problem with the
hydrogens so I don't understand why it gives me the error?

I relatively new to this and this is the first time I'm using amber ff in
gromacs so thanks for all the previous posts which help me quite a bit so
far.
Stacey
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