error - parameter file for fluorine on a benzene ring

From: Natasha Gupta (ngupta.r_at_gmail.com)
Date: Wed Aug 23 2017 - 15:07:08 CDT

• Next message: Natasha Gupta: "make psf error for ligand"
• Previous message: Nikhil Maroli: "Re: Creating psf file for ligand"
• Next in thread: Kowsar Khajeh: "Re: error - parameter file for fluorine on a benzene ring"
• Reply: Kowsar Khajeh: "Re: error - parameter file for fluorine on a benzene ring"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi,
I am getting the following error when trying to minimize a mocecule with a
fluorine group on a benzene group:

FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE F

I cant find Lennard-Jones parameters for F online. Can anyone direct me to
resources where I could find this?

Thank you!

• Next message: Natasha Gupta: "make psf error for ligand"
• Previous message: Nikhil Maroli: "Re: Creating psf file for ligand"
• Next in thread: Kowsar Khajeh: "Re: error - parameter file for fluorine on a benzene ring"
• Reply: Kowsar Khajeh: "Re: error - parameter file for fluorine on a benzene ring"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Sun Dec 31 2017 - 23:21:34 CST