[gmx-users] HETATM group "NN 46N FA NO"
feenstra at few.vu.nl
Tue Jun 14 09:34:25 CEST 2005
Kai Zhuang wrote:
> I have a pdb file that is a receptor ligand system.
> I removed the ligand in Deep View to simulate the ligand by itself,
> then i noticed that there's a few dozen lines of HETATM groups under
> the name "NN" "46N" "FA" "NO"
> any idea what are these?
> what force field should i use for these, what parameters?
No idea, must be something particular to 'Deep View' (which I've never
heard of before). If you only want to take the ligand out of your pdb
file, you can also do that with a simple text editor.
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