[gmx-users] Error in PDB2GMX

[sunny mishra]

Hi Justin,

Thanks for the expedient reply. I referred MARTINI but after
converting 1A8G.pdb to 1A8G_CG.pdb i.e. CG structure of protein I dnt
know how to make the topol.top and conf.gro files for that and also I
am not able to generate the posre.itp file with this CG structure
because it says the fatal error : Incomplete ring of HIS 69. So I
don't know how to proceed now and do my simulations.

Thanks,

Sunny