[gmx-users] Error when performing grompp on lipid bilayer modeled with CHARMM27
jchiefelk at gmail.com
Mon Sep 5 15:20:48 CEST 2011
I want to make a model of a GPCR inserted into lipid bilayer. I obtained
the structure file for a solvated POPC bilayer from the CHARMM-GUI site. I
used CHARMM27 force field to model the bilayer and *pdb2gmx *had no problem
generating the *.gro, *.top, and posre.itp files. When I perform *grompp* I
receive the following warning and error;
"WARNING 1 [file ffnonbonded.itp, line 130]:
Overriding atomtype HOL"
"ERROR 1 [file bilayer.top, line 271489]:
No default U-B types"
I though that the issue with creating Urey-Bradley interactions using *pdb2gmx
*had been corrected in Gromacs-4.5.4. Please give me some advice on how to
Jackson Chief Elk
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