From: Tim Isgro (timisgro_at_ks.uiuc.edu)
Date: Tue Mar 02 2004 - 17:31:08 CST
Hi Han,
There are no parameters for a CP3-NH3 bond in the Charmm parameter files.
Do the peptide segments contain any exotic residues for which parameters
might not be defined?
Tim
On Tue, 2 Mar 2004, Han Choe wrote:
> Dear All,
>
> I generated a PSF file of 4 peptide segments using VMD and ran a
> molecular dynamics simulation using NAMD. But I got an error message,
> read "CAN'T FIND BOND PARAMETERS FOR BOND CP3-NH3 IN PARAMETER FILES".
> What'd be wrong?
>
> Cheers,
> Han
>
>
>
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