[gmx-users] RE: gmx-users Digest, Vol 17, Issue 22

[Graham Smith]

>
> Thats very kind of you. I still have the problem. Where did you
uploaded the
> file from? Is it ffG43a1? Please let me know. I will have a go.

http://www.gromacs.org/topologies/force_fields.php -> ffG43a1p

>
> I have been also thinking about original pdb file. The structure
actully
> generated by Sybyl. It probably something worng with the structure.

You could try downloading a pdb that contains phosphoserine, and testing
that first. Oca at the EBI (and probably hundreds of other servers that
I don't know about) enables you to search for hetero groups.

BTW Phosphoserine can (also??) be called SEP and there are many more
examples in the PDB with that name.

Graham

############################################

Dr Graham R. Smith
Biosystems Informatics Institute
2nd Floor, Bioscience Centre
International Centre for Life
Times Square
Newcastle upon Tyne



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