Re: velocity DCD data retrieval

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Wed Sep 17 2008 - 23:35:21 CDT

Hi Matthew,
if you run catdcd on the velocity dcd file, does it report 100 frames or 75?
If you grep the output from your namd run for "WRITING VELOCITIES TO
DCD", do you get 100 instances or 75?
This will be helpful in figuring out at what stage problems may have
occurred.
Peter

Matthew Ambrosia wrote:
> Hi
>
> I created a binary velocity DCD file that writes the velocities at a
> certian frequency. I retrieve this data using a fortran code. When
> there should be data for 100 timesteps it only seems to write data for
> 75. When I read the positions from the regular DCD file there's no
> problem: data for 100 timesteps. What could the problem be?
>
> matthew
>
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