Hi Amber users
I have a couple of questions:
1) should I remove or keep crystallographic waters from my PDB file?
and add water using solvateoct
2)Does it matter the order of addions and solvateOct?
I want to run a minimization prior to MD on my protein.
3) I want to minimize all residues except the waters and ions (Na+),
how to specify this in GROUP input?
Hold the Protein fixed
500.0
RES, (?, ?)
END
END
Thanks for your help
Rerards
Boutheina
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Received on Sun Dec 09 2007 - 06:07:45 PST
