See $AMBERHOME/dat/leap/parm/parm99.dat
This lists all the parameters for the atom types (bonds, angles, dihedrals
and VDW params) - the only difference for FF99SB is that it changes some of
the backbone parameters as specified in frcmod.ff99SB.
The charges and atom types are in
$AMBERHOME/dat/leap/lib/all_amino94.lib / all_aminoct94.lib /
all_aminont94.lib
You can also look at these visually in xleap with:
source leaprc.ff99SB
edit GLY
and then in the Display menu you can turn on the display of charges, atom
types etc.
Good luck,
Ross
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
Charles Letner, Ph.D.
Sent: Monday, September 29, 2008 6:08 AM
To: amber.scripps.edu
Subject: AMBER: Location of vdw radii and partial charges for ff99SB
Hello,
Is there a file (or two) that lists the vdw radii and partial charges for
each amino acid atom type for the ff99SB. I am looking for both charged and
uncharged amino acids and n/co-terminal parameters. I am looking for a file
(or two) that is easy to "read".
Cheers,
Chuck
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Received on Wed Oct 01 2008 - 05:07:36 PDT
