[gmx-users] Error showing for FE atom

[David van der Spoel]

Nataraj B (R&D-Biotech) wrote:
> Dear GROMACS users,
>                  The protein of my interest having Fe(II) in its active
> site. While generating topology for the protein, it shows error as
> 
> Fatal error: Residue 'FE' not found in residue topology database
> 
> But When I replaced FE by Zn it works, I also referred the topology files
> under ../Gromacs/3.1_sgi/share/top/  where the atom types for FE has been
> defined as it did for Zn ion. 
> 
> Kindly help me to fix the problem.
> 
> (Note : I am running GROMACS ready compiled EXE program for IRIX6.5 in SGI)
> 
> Thanks in Advance !

Please update your gromacs version.

You give no information on FF.

> 
> B.Nataraj
> 
> 
> Disclaimer: This e-Mail may contain proprietary and confidential information
> and is sent for the intended recipient(s) only. If by an addressing or
> transmission error this mail has been misdirected to you, you are requested
> to delete this mail immediately. You are also hereby notified that any use,
> any form of reproduction, dissemination, copying, disclosure, modification,
> distribution and/or publication of this e-mail message, contents or its
> attachment other than by its intended recipient(s) is strictly prohibited.
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++