Hi everyone,
I am encountering a radius assignment error when trying to do a static PB
calculation in Amber9:
PB Bomb in pb_aaradi(): No radius assigned for atom
I have determined that this problem is due to the new atom types created in
the ff99SBildn force field, namely replacing ASP CG with the C6 type
instead of the traditional C type, ILE CG2 with the C3 type instead of the
CT type, LEU CG with the C4 type instead of the CT type, and ASN CG with
the C5 type instead of the C type.
Is there an easy way to assign the proper Tan/Luo radii to these atoms so
that improved non-polar solvation interactions may be calculated? I can't
figure out which file(s) need to modified to sort this out.
Thanks for your help!
(sorry if you received this twice, i think i sent it to the incorrect email
address the first time)
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Received on Thu Jan 05 2012 - 10:00:03 PST
