Re: storing velocity data of a NVE simulation

From: David Hardy (dhardy_at_ks.uiuc.edu)
Date: Thu Aug 21 2008 - 11:47:26 CDT

Hi Sudipta,

You can create a velocity DCD file that corresponds to the
trajectory DCD file. Please see the NAMD User Guide and read
about how to use the velDCDfile and velDCDfreq commands.

Regards,
Dave

On Thu, Aug 21, 2008 at 10:02:37PM +0530, sudipta sinha wrote:
> Hi All,
> Could anyone please suggest, how shall I store velocity data of
> simulation? NAMD simulation generates a velocity data file with .vel
> extension. Do this velocity data corresponding to the position data of dcd
> file? Actually I want to store velocity and position data at a same
> frequency. If the .vel file is correct one then how shall I read them. I
> have tried to read them via dcd file format but I don't get any success.
> could you please tell me the file format of that file. I am waiting for your
> needful suggestion and help.
>
> Thanks
> Sudipta

-- 
David J. Hardy           office: 3047 BI
Beckman Institute        fax:    (217) 244-6078
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