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
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?
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