[gmx-users] Residue modifications

Anu Tervo ajtervo at csc.fi
Tue Jun 24 18:33:00 CEST 2003


Hi all,

I'd like to get some advice for my task in hand. I need to remove HG atom
from one Ser residue in my protein to get a free OG atom. What would be
the best way to do this: just delete the corresponding atom from .top and
manually edit atom numbers to match again, create an .rtp file for Ser 
- HG residue, or define HG as a dummy atom (in this case, what dummy would
be the best for this usage)? 

Ciao,

    -Anu





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