[gmx-users] No default U-B types charmm

Justin Lemkul jalemkul at vt.edu
Mon Mar 3 18:48:04 CET 2014

On 3/3/14, 10:57 AM, gromacs query wrote:
> Hi All
> I am trying to use charmm36 (charmm36-jan2014 from charmm website) with
> popc membrane built using charmm-gui (have water and ions).
> I used commands as follows:
> pdb2gmx -f step5_assembly.pdb -o popc.gro -water tip3p -ff charmm36-jan2014
> editconf -f popc.gro -o popc_box.gro -c -d 0.0
> grompp -f minim.mdp -c popc_box.gro -p topol.top -o em.tpr
> I get this error: (so many)
> ERROR 11520 [file topol.top, line 184419]:
>    No default U-B types
> Where are UB for charmm36?

This shouldn't happen.  Can you please identify what atoms are causing the 
failure?  It may help to simplify by working only with a single lipid rather 
than a full membrane.



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

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


More information about the gromacs.org_gmx-users mailing list