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 __________________________________________________________________ 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: [email protected] 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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