From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Mon Mar 26 2007 - 14:16:37 CDT
Couple questions that may help to diagnose the problem...
Did you generate your new psf/pdb by going through a completely new
psfgen session using the new topology? Does the new TYR version have a
new residue name? And finally, did you check that both the number at the
head of the NATOM line in the psf and the actual number of lines that
follow it match the number of atoms in the pdb?
Peter
Arturas Ziemys wrote:
> Hi,
>
> I have created topology for TYR sydechain (modified original Tyr). Everything seems Ok', but NAMD gives some strange error "FATAL ERROR: Number of pdb and psf atoms are not the same!".
>
> BUT my psf and pdb contains the same number of atoms. Checked several times, but find no clue...
>
>
> Arturas
>
>
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