[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?
thanks,
JIom
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