[gmx-users] Atomtype CCL4 not found

[Justin A. Lemkul]

ahmet yıldırım wrote:
> Dear users,
> 
> Force field: 43a1
> water model: spc
> 
> After this command:grompp -f em.mdp -p topol.top -c solvated.gro -o em.tpr
> 
> I have the following error:
> 
> Fatal error:
> Atomtype CCL4 not found
> 
> What should I do?
> 

Use an appropriate atom type.  The issue is probably capitalization somewhere, 
i.e. CCl4 rather than CCL4.  See atomtypes.atp.

-Justin

> 
> -- 
> Ahmet YILDIRIM
> 

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================