Re: recalculating energy using dcd file

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Wed May 07 2008 - 17:08:16 CDT

NAMDenergy should be able to give you what you need:

http://www.ks.uiuc.edu/Research/vmd/plugins/namdenergy/

On May 7, 2008, at 9:19 AM, gurvisha_at_leadinvent.com wrote:

>
> Dear namd users
>
> I have a DCD file from a prior dynamics run but have lost its log
> file. I
> want to calculate the energy of each frame. Is there a way i can
> regenerate the log file using dcd file?
>
> Regards
> Gurvisha Sandhu
>
> Scientific Head
> LeadInvent Technologies
> Technology Business Incubation Unit(TBIU)
> IIT Delhi
> Hauz Khas, New Delhi 110 016
> INDIA
>
>
>
>

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