[gmx-users] problem with index file

Mark Abraham Mark.Abraham at anu.edu.au
Mon Feb 13 13:34:35 CET 2012

On 13/02/2012 11:00 PM, Anushree Tripathi wrote:
> How could we add DPPC group (for 6400 atoms) in index file?I have gone
> through the gromacs tutorial
> (http://www.gromacs.org/Documentation/Gromacs_Utilities/make_ndx) but
> not getting exactly.

make_ndx -f your_coordinate_file_containing_DPPC.gro -n 

There will be a group for DPPC based upon whatever is the contents of 
the column for the "residue" name in your coordinate file.

See also make_ndx -h and entering "h" for help after you start make_ndx.


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