标题: How can i go on and kill this fatal error? [打印本页] 作者Author: srwjp001 时间: 2021-8-19 14:16 标题: How can i go on and kill this fatal error? Hello, thank you for open this SOS page.
I used
gmx grompp -f eq.mdp -c em.gro -p mix.top -o eq.tpr
to practice water / ethanol system
BUT, gmx gave me back
Fatal error:
Group ethanol referenced in the .mdp file was not found in the 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.