Hi all,<br> 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.<br>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.<br>
<br>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 analysis.<br>Can any one help how i go about it to succeed in doing VACF. Thank you.<br>
<br>Rama <br clear="all"><br><br>