VMD-L Mailing List
From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Tue Jan 08 2008 - 14:52:46 CST
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- In reply to: Lixia Jin Day: "NAMDEnergy problem"
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Hi,
the CN7 would be in your psf file, not in the PDB. Also, what system are
you simulating? The parameter file I have doesn't have a CN7-CN7-CN7
angle; are you using a custom residue?
Best,
Peter
Lixia Jin Day wrote:
> I am trying to use the plugin NAMDEnergy. I remember it worked a few
> months ago. However, for any structure, it just came out the error
> message now. I have no idea what is wrong. Can you help? Thanks!
>
>
> Error: abnormal program termination.
>
> In log file, the last line is:
>
> FATAL ERROR: UNABLE TO FIND ANGLE PARAMETERS FOR CN7 CN7 CN7
> I checked back the PDB file, there is no CN7 at all.
- Next message: Guanglei Cui: "Re: X_ChangeProperty: BadValue (integer parameter out of range for operation) 0x40"
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- In reply to: Lixia Jin Day: "NAMDEnergy problem"
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