gmx3 at hotmail.com
Thu Sep 29 11:39:45 CEST 2005
>From: Sukit Leekumjorn <leekumjo at vt.edu>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: leafyoung81-group at yahoo.com,Discussion list for GROMACS users
><gmx-users at gromacs.org>
>Subject: Re: [gmx-users] g_traj
>Date: Thu, 29 Sep 2005 00:29:34 -0400
>Thank you for your reply.
>If you look closely, below is the step that I got by using -dt 10 option.
>0, 10, 20, skip
>70, 80, skip
>130, 140, 150, 160, skip
>260, 270, 280, 290, 300, 310, 320, skip
>Note that it skips around from 0-500 ps.
>Basically, I just want to reduce the output file size by reducing timestep.
This is a problem with the precision of the times in the trajectory.
You are analyzing with g_traj_d, but I assume you have ran with
a single precision version of mdrun.
Using a single precision version of g_traj should solve the problem.
This problem has been fixed for the next release.
More information about the gromacs.org_gmx-users