Re: FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR C H (ATOMS 2 1)

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Thu Jun 23 2011 - 16:17:59 CDT

How did you generate the psf? You have a carbonyl carbon attached to a polar hydogen. I don't think this exists in the protein force field.

On Jun 23, 2011, at 8:51 AM, Jorgen Simonsen wrote:

> Hi all,
>
> I am doing a simulation on a membrane peptide where the ends are kept
> neutral with the following types in the psf
>
> 1 A 1 VAL H1 H 0.000000 1.0080 0
> 2 A 1 VAL C1 C 0.510000 12.0110 0
>
> I use the par_all27_prot_lipid.prm file and get the following error
>
> FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR C H (ATOMS 2 1)
>
> so I have not been able to locate the parameters for this patch among
> the charmm files - anybody know how to solve this problem?

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