Dear Amber users;
May be this is very simple question.
I have a protein having GLU residue has "OE" and "CG" (hydrogen removed)
N GLU
CA GLU
C GLU
O GLU
CB GLU
CG GLU
CD GLU
OE1 GLU
OE2 GLU
when we source leaprc.ff99SB it uses parm99.dat and frcmod file. I am
not able to get that from where amber could recognise "OE" (other
examples may also be there).
1) "CG "I can see in "addAtomTypes" is sp2 but I was not able to find "OE" anywhere and what type of carbon CG is?
2) "CG" is written sp2 in leaprc.ff99SB file, but in xleap if "edit GLU" and see CG, it is sp3 carbon.
please help to understand this confusion.
thanks and regards; hApPy HoLiDaYs
JIomm
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Received on Thu Dec 24 2009 - 01:30:02 PST
