AMBER Archive (2003)

Subject: Re: Fluorine atom type in mm_pbsa?

From: Lishan Yao (yaolisha_at_pilot.msu.edu)
Date: Tue May 20 2003 - 08:12:04 CDT

It is for MM-GBSA calculation of one organic molecule which has one
fluorine atom. MM_PBSA can not identify it.

Lishan

On Mon, 2003-05-19 at 18:13, Holger Gohlke wrote:
> Lishan Yao wrote:
> >
> > Hi:
> > I have a quick question. How can I make mm_pbsa identify Fluorine atom?
> > Thanks.
>
> In what respect? For MM, PB, GB, SA calculations? I think, you need to
> be more explicit with what you mean or where a problem occurred.
>
> Best regards
>
> Holger
>
> >
> > Sincerely
> > Lishan
>
> --
> +++++++++++++++++++++++++++++++++++++++++++++
> Dr. Holger Gohlke
> Dept. of Molecular Biology, TPC15
> The Scripps Research Institute
> 10550 N. Torrey Pines Rd.
> La Jolla CA 92037 USA
> phone: +1-858-784-9788
> fax: +1-858-784-8896
> email: gohlke_at_scripps.edu
> +++++++++++++++++++++++++++++++++++++++++++++
>