[gmx-users] Activated Serine side-chain
Andrey V Golovin
golovin at genebee.msu.su
Mon Aug 2 18:42:54 CEST 2004
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> 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
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Andrey mailto:golovin at genebee.msu.su
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