Dear AMBER users,
Could anybody tell me how to fix the problem of "bad atom type; f" error in
the energy minimization with GB/SA.
I use AMBER7 and already made bugfix 7 & 24 (and many others too) related to
GB/SA and GAFF error fix.
This error, "bad atom type; f" only occurs with GB/SA. When igb=0 (vacuum
calc), the calculation was fine.
Are Fluorine parameters not available in GB/SA calc of AMBER7 ?
I would welcome any comments.
Thank you.
Sukjoon
Pharmacology
UMDNJ-Rutgers
Received on Mon Jul 14 2003 - 16:53:00 PDT
