Re: Dihedral energy not getting generated ( is zero )

From: prateeksha s (prateeksha.s_at_gmail.com)
Date: Wed Dec 26 2007 - 02:01:50 CST

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Hi ,

Apart from Dihedral and Improper energies , Boundary and Misc are also zero
throughout.

-- 
Rgds,
Prateeksha
On Dec 26, 2007 1:28 PM, prateeksha s <prateeksha.s_at_gmail.com> wrote:
> Hi all,
>
> I'm simulating a carbon/BN nanotube in water. I noticed that the dihedral
> and improper energies are always zero. The impropers for this system are all
> zero. But, the dihedrals are not. There are 732 infact.
> I checked the parameter file, it had all the dihedral entries. I commented
> them out, to check if it makes a difference, and namd threw an error. So, I
> un-commented it and it worked fine. Except that the dihedral energies were 0
> throughout.
>
> Please give your suggestions.
>
> --
> Rgds,
> Prateeksha

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