[gmx-users] atoms over 100,000
mailmd2011 at gmail.com
Thu Oct 9 17:33:15 CEST 2014
thanks a lot for clarification.
I've got one more question, are the cases the same for plumed.dat file
for patched PLUMED MD simulation in Gromacs?
On 10/09/2014 05:30 PM, Justin Lemkul wrote:
> In an index file, yes. For instance, use make_ndx to select 'r 12706'
> and see what it does. Confirm that you can, for example, extract that
> residue using trjconv using that index group.
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