[gmx-users] Re: gmx-users Digest, Vol 52, Issue 77
parthiban at ncbs.res.in
Tue Aug 19 10:47:42 CEST 2008
trjconv_mpi -f dimer_md.trr -o dimer_md.xtc (command which i used)
Cluster machine (30 nodes, 1 node = 4 processor)
again i want you to know that my molecule is dimer with a small ligand
which gives error.
my molecule alone dosent gives error
> Hi Parthiban,
> Well, it was the best possible shot in the dark. Then please enlighten
> us with more information: What is your command line? What platform do
> you use? Which compiler? When did it work? What system?
> On Tue, Aug 19, 2008 at 5:55 AM, M.Parthiban <parthiban at ncbs.res.in>
>> no exact reason, but it is a shared option, and i dont have the option
>> access other types.
>> main thing to notice is, this trjconv working clearly for a protein with
>> single chain and more
>> this creates problem only when a ligand bound dimer is used. can you
>> any solution.
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