AMBER Archive (2003)

Subject: Bad atom type: f

From: Sukjoon Yoon (yoonsu_at_UMDNJ.EDU)
Date: Mon Jul 14 2003 - 10:28:58 CDT

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