[gmx-users] Query- Ligand topology

[Priya Das]

Dear all,

I am submitting a ligand with 45 HETATM PDB file in PRODRG, but i get a
result with 46 HETATM.
The main error is in the -NH group, the structure generated by PRODRG shows
four valence for Nitrogen.
Is there any other tool/option for generating the topology?

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*Let us all join hands to save our " Mother Earth"*
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Regards,
Priya Das
Research Scholar
Dept. of Computational Biology and Bioinformatics,
University of Kerala