[gmx-users] Activated Serine side-chain
Chng Choon Peng
cpchng at bii.a-star.edu.sg
Tue Aug 3 02:31:50 CEST 2004
Sounds like a way. Thanks, I'll try that out and feedback any problems
On 8/3/04 12:42 AM, "Andrey V Golovin" <golovin at genebee.msu.su> wrote:
> Dear Choon,
> Without changing ff?????.rtp i think no you can't.
> But all that you need to do is copy ser entry with new name and
> adjust charges and after that assign this new name to residue in pdb
> that you want activate.
> CP> Dear all,
> CP> Does anyone know if i can have a Serine residue with O- instead of the
> CP> OH group on the side-chain in GROMACS?
> CP> This is called activated serine, i think.
> CP> Thank you.
> CP> regards,
> CP> choon-peng
> CP> --
> CP> Mr. Choon-Peng CHNG
> CP> Research Associate
> CP> Computational Biology Group
> CP> BioInformatics Institute, BMSI
> CP> 30 Biopolis Street, #07-01 Matrix, Singapore 138671.
> CP> DID: +65 6478 8301; Fax: +65 6478 9047
> CP> www.bii.a-star.edu.sg/~cpchng
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