[gmx-users] Atom type CB ERROR

[Justin Lemkul]

On 5/29/17 5:06 AM, Kashif wrote:
> dear sir
> 
> I prepared ligand topology and coordinate file using swiss param tool. Then
> I simulate my protein with CHARMM FORCE FILED. After giving command
> 
> grompp -f em.mdp -c solv.gro -p topol.top -o ions.tpr
> 
> i found this error....
> 
> Fatal error:
> Atomtype CB not found
> 
> Kindly help to resolve this error.
> 

CB is not a standard CHARMM atom type so SwissParam must have created a 
definition for it.  #include its parameters from the topology the server gave you.

-Justin

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

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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