[gmx-users] grompp error

محمد گره گشا m.gerehgosha at gmail.com
Sun Oct 18 09:05:08 CEST 2015

All dears

we doing MD by oplsa ff for protein-ligand complex that we take from
Autodock. we do this steps to add ligand as a residue at residue database,
but when run grompp we face this error

ERROR 1 [ file LIG.itp, line 401 ]:

       No default proper Dih. types

Fatal error:

There was 1 error in input file(s)

can you help we please?

so thank you.

We attached LIG.itp

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