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
hx.itcc.nju.edu.cn
2004-10-24
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Received on Sun Oct 24 2004 - 14:53:00 PDT
