[gmx-users] -dt

[leila karami]

Hi gromacs users

I want to know what is purpose of -dt flag in most of commands? in my
analysis, different values for -dt
results in outcomes have not determined trend .

I used this flag for g_rms as follows :

if   g_rms -f pr.xtc -s pr.tpr -n pr.ndx    -o 5.xvg  -dt 5   so :

gromacs record output every 20 ps

 if   g_rms -f pr.xtc -s pr.tpr -n pr.ndx    -o 10.xvg  -dt 10  so :

gromacs record output every 20 ps

 if   g_rms -f pr.xtc -s pr.tpr -n pr.ndx    -o 15.xvg  -dt 15  so :

gromacs record output every 60 ps

 if   g_rms -f pr.xtc -s pr.tpr -n pr.ndx    -o 20.xvg  -dt 20  so :

gromacs record output every 20 ps

 if   g_rms -f pr.xtc -s pr.tpr -n pr.ndx    -o 25.xvg  -dt 25  so :

gromacs record output every 100 ps

 if   g_rms -f pr.xtc -s pr.tpr -n pr.ndx    -o 30.xvg  -dt 30    so :

gromacs record output every 60 ps


in my simulation [ 1 frame = 4 ps ]

any help will highly appreciated.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100630/b33f4e9e/attachment.html>