[gmx-users] g_velacc problem
gtrama at gmail.com
Thu Dec 10 23:40:21 CET 2009
I am trying to do velocity auto-correlation function(VACF) for the
'oxygen atom' present in a 63 Ang. cubic water box, simulated upto 500ps.
And the velocities are stored at every 5fs. While doing the
analysis(g_velacc), it got struck at 400ps, since if felt it is mainly due
to the memory problem, i redid my simulation by storing the velocities at
every 7fs. Now the analysis went upto 497ps and got struck after that.
I tried to truncate my trajectory upto 497 by using the -trunc option from
trjconv command but again i faced the same problem as before while doing
Can any one help how i go about it to succeed in doing VACF. Thank you.
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