Hi,
I've a little problem: when i type grompp for the full MD, it return an error:
[EMAIL PROTECTED]:~/Desktop/DNA$ grompp -f fullmd_sol.mdp -c minimized_DNA_box_water.gro -p DNA.top -o fullMD.tpr
....
....
....
processing index file...
Analysing residue names:
Opening library file /usr/local/gromacs/share/gromacs/top/aminoacids.dat
There are: 43015 OTHER residues
There are: 0 PROTEIN residues
There are: 0 DNA residues
Analysing Other...
-------------------------------------------------------
Program grompp, VERSION 3.3
Source code file: readir.c, line: 775
Fatal error:
Group DNA_A not found in indexfile.
Maybe you have non-default goups in your mdp file, while not using the '-n' option of grompp.
In
that case use the '-n' option.
but also with the -n option there aren't any differences.
in the .mdp file i used "DNA_A" "DNA_B" "SOL" as group;
DNA_A and DNA_B are .itp files, and i've also DNA_posre_A.itp DNA_posre_B.itp files.
what can i do?
thanks very much
PS:i hope that i've been clear.
Beniamino
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