Re: Reason of FATAL ERROR: UNABLE TO FIND ANGLE PARAMETERS FOR HT HT OT

From: Mert Gür (gurmert_at_gmail.com)
Date: Sat Aug 07 2010 - 11:39:13 CDT

I mean it didn't happen for the other 5 proteins. Why did it happen
for this one.
Mert

On Sat, Aug 7, 2010 at 6:20 PM, Mert Gür <gurmert_at_gmail.com> wrote:
> Dear all,
> I am trying to perform MD on CI2 (1YPA.pdb).
> I was getting the following error
>
> "Warning: Ignored 1 bonds with zero force constants.
> Warning: Will get H-H distance in rigid H2O from H-O-H angle.
> FATAL ERROR: UNABLE TO FIND ANGLE PARAMETERS FOR HT HT OT"
>
> I did the modification which is given in the following topic and it worked
>
> http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/3209.html
>
>  BOND OH2 H1 OH2 H2 H1 H2 ==> BOND OH2 H1 OH2 H2
>
> Since last year I am using the same topology file for all my MD runs .
> I had never came across with this error.
> What might be the reason for this topology file related error to happen?
>
> Best,
> Mert
>
>

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