[gmx-users] grompp - Group protein not found
Lara Bunte
lara.bunte at yahoo.de
Wed Mar 7 18:13:11 CET 2012
Hi
I create a file pr.mdp for equilibrating the water around my molecule and used after that the command
grompp -f pr.mdp -p topol.top -c em.gro -o pr.tpr
And I got tthe error:
Fatal error:
Group protein not found in index file.
Group names must match either [moleculetype] names
or custom index group names,in which case you
must supply an index file to the '-n' option of grompp.
Could you explain that error to me please? How to fix it?
Greetings
Lara
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