[gmx-users] Did not find any molecules of type ...

[Marta Wisniewska]

Dear all,

I'd like perform a free energy binding calculations. I defined my molecules
by WAT moleculetype in topology and these same name in gro file. I didn't
include a wat.itp file to .top file.

During grompp command, it shown up an error:

Fatal error:
Did not find any molecules of type 'WAT' for coupling

I checked out in Internet, but I didn't find any compatible solutions.

Could you help me?

Thank you in advance,

Marta