Hi all,
I am little bit confused by the parameters in the residue database. Let's
say for parameters of dG (DG in allnuc_94.in):
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
CK refers to "sp2 C 5 memb. ring in purines".
However, parm99.dat describes NC as "sp2 N in 6 memb. ring w/LP (ADE,GUA)"
and CQ as "sp2 C in 5 memb. ring of purines between 2 N".
Isn't NC a more appropriate type for N1 of DG and CQ for C8 of DG?
Since N1 is a sp2 N in 6 memb. ring. And CQ explicitly denotes sp2 C in 5
memb. ring of PURINES between 2 N
I would appreciate it if someone could kindly clarify this for me.
Cheers,
Lihua
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Received on Mon Aug 16 2004 - 09:53:01 PDT
