[gmx-users] topology

RAHUL SURESH drrahulsuresh at gmail.com
Mon Feb 27 06:49:11 CET 2017


I am explaining my issues regarding complex simulation.

I have 200ns conformer(OPLS FF)

I have generated my ligand gro and itp file.(Using topolgen1_1)

I have edited my protein gro file and made it into complex file as per the
tutorials.

I have made changes to my topol.top file.

Now in my command for em.mdp I am getting 19 errors stating "NO DEFAULT
BOND TYPE, ANGLE TYPE, ETC."

Can you guide me with this?

-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*


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