[gmx-users] index file

[lina]

make_ndx -f your.gro/pdb -n your.ndx -o your.ndx

LiGA & LİGB:
q

in grompp add -n your.ndx


2011/5/12 ahmet yıldırım <ahmedo047 at gmail.com>:
> Dear users,
>
> I have two ligands. I created a special index group that merges the protein,
> LiGA and LİGB.
>
> I have the pr.mdp file as the following:
> ...
> energygrps      = Protein    LİGA_LİGB
> tc-grps         = Protein_LİGA_LİGB    Water_and_ions
> ...
>
> grompp -f pr.mdp -p topol.top -c em.gro -n index.ndx -o pr.tpr
> Fatal error:
> Group LİGA_LİGB not found in indexfile.
>
> I get the fatal error since I dont have a special index group that merges
> LiGA and LİGB. should I create two different index file?
>
> Thanks in advance
> --
> Ahmet YILDIRIM
>
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-- 
Best Regards,

lina