[gmx-users] removing number of sol

[gromacs query]

Dear All,

I know the residue numbers of SOL molecules (which are more than thousands)
which I want to remove them from a gro file. I searched that make_ndx can
be used make a index file to define residues. But It is a prompt based tool
and its difficult to type manually thousands of residue numbers.

1) Is there some way to feed the residue numbers to make_ndx? Or I need to
make index file format my self by some scritpting Or is there is rather
easier way of doing in gromacs.

2) Also is there any direct command which helps to remove a residue number
directly from a gro file without using index file input; means residue
defined in command itself?

3) Also once I get index file can editconf help to write a new gro without
the residues mentioned in index file?. I used this editconf -f my.gro -n
index.ndx -o del.gro .

This gave me del.gro having residues mentioned in index file. But I want
del.gro file without the residues mentioned in index file.


regards,