[gmx-users] Fatal error: Unknown bond_atomtype cn9 in Charmm27

[Mijiddorj Batsaikhan]

Dear Justin,

Thank you very much for quick response.

I want to capitalize cn9, but I could not find small cn9 in my force field.
There is CN9 (capital) only for DNA. There is not any DNA molecules in my
system.


Best regards,
Mijiddorj



On 1/15/17 11:04 PM, Mijiddorj Batsaikhan wrote:
> Dear gmx users,
>
> I am using gromacs-v5.1 with charmm27 force field that extended by
> swissparams D amino acids.
>
> I got a following error.
>
> *************************************
> Fatal error:
> Unknown bond_atomtype cn9
> *************************************
> I searched some solutions, but there is no clear solution.
> I also checked in atomtype.atp, etc., I could not find cn9, There are all
> CN9.
>
> How can I fix this error? please advice me for modification of FF.
>

Capitalize it.  GROMACS atom types are case-sensitive.

-Justin

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==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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