AMBER Archive (2009)

Subject: [AMBER] Re: non aminoacid Residue

From: Neha Gandhi (n.gandhiau_at_gmail.com)
Date: Mon Jul 06 2009 - 03:43:56 CDT

Well, this residue is connected at the ends with standard amino acid and
hence if I use the gaff forcefield, it complains about the atom type between
standard and non standard residue. If I use amber atom type then its
complains about the N-N bond type wherein no such bond exists in the
peptide.

Regards,
Neha

2009/7/6 Raja Pandian <chemistryraj_at_gmail.com>

> Hi,
>
> Try to make FRCMOD and PREPIN for your non aminoacid Residue using
> RESP/Antechamber (GAFF force field).
> Then load one by one...
>
>
> Wishes
> Raja
> 

-- 
Regards,
Neha Gandhi,
School of Biomedical Sciences,
Curtin University of Technology,
GPO Box U1987 Perth,
Western Australia 6845
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