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

Marta Wisniewska marta.d.wisniewska at gmail.com
Fri Feb 19 19:07:50 CET 2016

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,


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