AMBER Archive (2004)

Subject: AMBER: No radius for F atom in MM_PBSA

From: Xiao He (
Date: Sun Oct 24 2004 - 08:30:48 CDT

Dear Amber users,

The error in Amber says,

=>> Calculating energy / entropy contributions
    Calc contrib for ../dynamics/ras_raf_II_wt_com.crd.1
        Calc MM/GB/SAS
        Generate PDB
        Center PDB
        Generate PQR
        No radius found for F1 38 in residue AQ4 1

It seems the PB model does not recognize the F atom.How to deal with the F,CL,Br atoms in MM_PBSA model?
Thanks a lot!

He Xiao


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