From: David Hardy (dhardy_at_ks.uiuc.edu)
Date: Wed Oct 23 2013 - 13:14:23 CDT
Dear Mihaela,
It looks like you didn't tell NAMD that you are using a CHARMM parameter file rather than the default XPLOR parameter file format.
Try including in your config file the line: "paraTypeCharmm = on"
-Dave
On Oct 23, 2013, at 1:00 PM, Mihaela Drenscko wrote:
> Hello,
>
> I was running a simulation of water on graphite, where I used input parameter file for bonds as follows:
>
> BONDS
>
> !V(bond) = Kb(b - b0)**2
> !Kb: kcal/mole/A**2
> !b0: A
> !atom type Kb b0
> HW OW 600.000 1.000
> CG CG 225.000 1.530
> And I got this error:
>
> FATAL ERROR: BAD BOND FORMAT IN XPLOR PARAMETER FILE
> LINE=*BONDS*
>
> What is wrong with this format?
>
> Thank you,
>
> Mihaela
>
-- David J. Hardy, Ph.D. Theoretical and Computational Biophysics Beckman Institute, University of Illinois dhardy_at_ks.uiuc.edu http://www.ks.uiuc.edu/~dhardy/
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