[gmx-users] .cpt and .trr files

Anna Marabotti anna.marabotti at isa.cnr.it
Fri Mar 11 10:01:59 CET 2011

Dear all,
a very quick question: I would like to know if a checkpoint file produced
with a simulation with Gromacs contains really ALL information needed to
restart a simulation; or better, if I keep only the .cpt file and the .xtc
file of a simulation, which information I lost (apart from the precision of
the result)? At present I'm keeping he .trr files (which contains all
information) only to be sure I can restart a simulation, but I need
DESPERATELY free disk space...
Thank you very much
Anna Marabotti, Ph.D.
Laboratory of Bioinformatics and Computational Biology
Institute of Food Science - CNR
Via Roma, 64
83100 Avellino
Phone: +39 0825 299651
Fax: +39 0825 781585
E-mail: amarabotti at isa.cnr.it
Skype account: annam1972
Web site: http://bioinformatica.isa.cnr.it/anna/anna.htm
"When a man with a gun meets a man with a pen, the man with the gun is a
dead man"
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