Sorry for my ambiguous question since there's an easy workaround by
modifying mm_pbsa_calceneent.pm. However, it's still a problem that it
seems to be no available parameter for flourine.
Sincerely,
yuann.
On Thu, 1 Dec 2005 00:30:36 +0800 (CST)
yuann.bioinfo.ndhu.edu.tw wrote:
> 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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Received on Thu Dec 01 2005 - 05:53:00 PST
