[gmx-users] Error in PDB2GMX
mishra.sunny at gmail.com
Fri Aug 7 01:46:51 CEST 2009
Thats great. I am able to make now my 1A8G.itp file and also the CG
structure of protein but now the other problem which is arising is to
make the topol.top file and conf.gro file. When I am making this using
the command...pdb2gmx -v -f 1A8G_CG.pdb -o conf.gro -p topol.top
......it says choose the forcefield parameter and I am choosing OPLS
rather as a matter of fact I have tried all force field parameters and
when I run it says FATAL ERROR : Incomplete ring for HIS 69.
Don't know how to proceed.
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