[gmx-users] adding missing hydrogen in PDB files

Arijit Maitra arijitmaitra at yahoo.com
Thu May 1 17:26:14 CEST 2008


Hi All

I have been trying to simulate a DNA tetramer
d(GGGGTTTTGGGG)_2 using gromacs with amber ports. I
have downloaded the X-ray structure from
www.rcsb.org/pdb which has several missing hydrogen
atoms. Can anybody advise how to plug in the missing
atoms, e.g. with softwares or otherwise to proceed
with the pdb2gmx command?

Thanks
Ari


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