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

gromacs query gromacsquery at gmail.com
Mon Mar 3 16:57:58 CET 2014

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?


More information about the gromacs.org_gmx-users mailing list