[gmx-users] make index

reisingere at rostlab.informatik.tu-muenchen.de reisingere at rostlab.informatik.tu-muenchen.de
Wed Jun 27 17:08:30 CEST 2012

Hi everybody,
I want to  make an index with "make_ndx".

But when I just wanted to group SOL and CL   and   Protein and DPPC  it
tells me when I want to run grompp afterwards that there are some residues
not indexed.
I thought that that might be because the NA-ions are not grouped. But when
I want to group them together with the SOL and the CL with the command
14|15|17 and run grompp afterwards it tells me that the index SOL_Cl could
not be found. That is reasonable since my group is called: NA_CL_SOL
So my question is: how can I rename such a index group?

Bests, Eva

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