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AMBER Archive (2004)Subject: AMBER: residue database
From: Lihua Wang (lhw_at_broyde.nyu.edu)
Hi all,
I am little bit confused by the parameters in the residue database. Let's
Atom N1 is of type NA and atom C8 is of type CK.
In parm99.dat, NA refers to "sp2 N in 5 memb. ring w/H atoms (HIS)", and
However, parm99.dat describes NC as "sp2 N in 6 memb. ring w/LP (ADE,GUA)"
Isn't NC a more appropriate type for N1 of DG and CQ for C8 of DG?
I would appreciate it if someone could kindly clarify this for me.
Cheers,
Lihua
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