Hi,
You have to parametrize your molecule first (e.g. with gaff2). Please look
at the antechamber section in the manual and look at the antechamber
tutorials (though be aware that the latter are a bit outdated).
Hope it helps,
El mar., 11 jun. 2019 a las 14:43, Jeyaram R A (<ra.jeyaram.vit.ac.in>)
escribió:
> Dear All,
>
> I want to generate the parameter file for fluorine substituted
> sialic acid at any hydroxyls like O2, O4, O7, O8 and O9 positions by using
> glycam force field. Here I attach the pdb file contains the coordinates
> sialic acid (fluorine substituted at O9 hydroxyl). What is the command for
> atom type of fluorine. In tleap i got on error as FATAL: Atom .R<0SA
> 387>.A<F9 38> does not have a type. Thanks in advance.
>
>
> With Regards,
>
> R. A. Jeyaram
>
> Research Scholar
>
> School of Advanced Sciences
>
> Vellore Institute of Technology
>
> Tamil Nadu, India.
>
--
Stephan Schott Verdugo
Biochemist
Heinrich-Heine-Universitaet Duesseldorf
Institut fuer Pharm. und Med. Chemie
Universitaetsstr. 1
40225 Duesseldorf
Germany
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Received on Tue Jun 11 2019 - 07:00:03 PDT
