On 5/15/13 7:36 AM, aixintiankong wrote:
i want to study how ligands change the conformations using the gromacs
software and i want to run 100ns, but i don't konw how to reasonably set the
nstxout nstvout nstenergy nstlog and nstxtcout.
There is no universal answer. The main consid
i want to study how ligands change the conformations using the gromacs
software and i want to run 100ns, but i don't konw how to reasonably set the
nstxout nstvout nstenergy nstlog and nstxtcout.
Thank you very much!
--
gmx-users mailing listgmx-users@gromacs.org
http://lis
As usual there is no universal question, it depends on what do you want
to see from your MD.
The main factor to consider is the disk space that you can use if
you decide to save every 10 ps it means that for 100ns you'll have
10.000 frame, depending on your system this can be a huge amount of
d
Dear,
i want to study how ligands change the conformations using the gromacs
software and i want to run 100ns, but i don't konw how to reasonably set the
nstxout nstvout nstenergy nstlog and nstxtcout.
Thank you very much!
--
gmx-users mailing listgmx-users@gromacs.org
http:/
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