Dear All,
After a few tests, I finally got it.
Actually, the command line below does NOT generate a new set of group.
echo r 1-442 q|gmx make_ndx -f md_0_1.tpr -o index.ndx
Instead, it outputs ALL the 18 groups, each group contains its relevant atom
numbers.
After reading
On 8/14/17 11:09 AM, ZHANG Cheng wrote:
Dear Gromacs,
After running
echo r 1-442 q|gmx make_ndx -f md_0_1.tpr -o index.ndx
I got a index.ndx file.
Then I run
echo 19 19|gmx rms -s md_0_1.tpr -f md_0_1.xtc -o rmsd.xvg -tu ns
But still only 18 options could be recognised. The index.ndx file is
Dear Gromacs,
After running
echo r 1-442 q|gmx make_ndx -f md_0_1.tpr -o index.ndx
I got a index.ndx file.
Then I run
echo 19 19|gmx rms -s md_0_1.tpr -f md_0_1.xtc -o rmsd.xvg -tu ns
But still only 18 options could be recognised. The index.ndx file is already in
the same folder.
So how to
