[gmx-users] Atom type CB ERROR
Justin Lemkul
jalemkul at vt.edu
Mon May 29 21:10:25 CEST 2017
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
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