AMBER Archive (2005)

Subject: AMBER: Fluorine in MM-PBSA (AMBER8)

From: yuann_at_bioinfo.ndhu.edu.tw
Date: Wed Nov 30 2005 - 10:30:36 CST


Greetings all,
   There are 3 flourine in my ligand and fails(No radius found for F...)
in MM-PBSA calculation(by pbsa, PROC=2) even the "RADIOPT" is set to 0.
Is there any way to solve this problem? Thank you very much.

Sincerely,
yuann.
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