[gmx-users] make_ndx
Mark Abraham
Mark.Abraham at anu.edu.au
Wed Oct 24 08:13:20 CEST 2007
sarbani chattopadhyay wrote:
> hi,
> I want to select two groups in the index file, one group consisting
> of only the aromatic
> ring of phenylalanine and the other group consisting of only the alpha
> carbon.
> I want to know the way to use the make_ndx command for this.
After entering make_ndx, you can use "h<RETURN>" to get some primitive
help.
In this case, you can most quickly solve your problem by hand-editing.
See http://wiki.gromacs.org/index.php/Index_File
Mark
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