[gmx-users] adkgromacstutorial error

Mahmood nt_mahmood at yahoo.com
Tue Jul 3 14:32:12 CEST 2018


>The tutorial contents look a bit outdated
Well the main page says that the release date is Jul 3 and it is compatible with 2018.I changed tau-p to just one value (tau-p = 2.5)
Now, I get
Program:     gmx grompp, version 2018
Source file: src/gromacs/gmxpreprocess/readir.cpp (line 2682)

Fatal error:
Group PROT 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.




Regards,
Mahmood 



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