[gmx-users] g_velacc problem

Ramachandran G gtrama at gmail.com
Thu Dec 10 23:40:21 CET 2009

Hi all,
    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.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20091210/4aa0818c/attachment.html>

More information about the gromacs.org_gmx-users mailing list