Sorry MDS means MD simulation the commands are as follows >tpbconv -s md.tpr -f md_traj.chk.trr -o md_01.tpr -until 1000 this shows last step before crashing and starts from there until 1000
then >mdrun -s md_01.tpr -o md_traj_01.trr -c minim_water.gro -g md.log -e minim_ener_01.edr On Tue, Apr 20, 2010 at 7:50 PM, XAvier Periole <[email protected]> wrote: > > On Apr 20, 2010, at 9:14 AM, Bharath.K wrote: > > Hello all.... >> i got a system crash at some steps.. >> after creating the new .trr file using command tpbconv >> > trr file with tpbconv? you mean tpr? > >> and running MDS >> > what is MDS? > > by mdrun command the approximate finishing time is not showing..... >> and also a warning is showing as >> >> WARNING: this run may generate approximately 4583292 Mb of data.... >> > That is a bit enormous > > >> is there any changes that i should do while giving the command and can i >> continue with this warning..... >> > Which exact command did you use? > > >> >> -- >> Bharath.K >> Ph-9535629260 >> -- >> gmx-users mailing list [email protected] >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before >> posting! >> Please don't post (un)subscribe requests to the list. Use thewww interface >> or send it to [email protected]. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use thewww interface > or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Bharath.K.Chakravarthi Ph:9535629260
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