David van der Spoel
spoel at xray.bmc.uu.se
Thu Oct 31 20:39:00 CET 2002
On Mon, 2002-10-28 at 22:00, Chris Shaw wrote:
> Hi All,
> Hope all are well. I have got a problem regarding space. I am now beginning to produce some complex runs which are taking up rather alot of disk space on the system at work. Is there a way to save the md run at several different points and "merge" them together at the end on a different system to analyse the data.
yes you can do short runs and concatenate them. The only problem is the
maximum file size that your operating system might have, alhtouh gromacs
tries to cope with that on Linux.
Check the tpbconv command, option -extend
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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