AMBER Archive (2009)

Subject: [AMBER] how to create prmtop and inpcrd files for covalent neutral phenylalanine

From: Madhurima Jana (tinni.217_at_gmail.com)
Date: Thu Jun 18 2009 - 07:39:03 CDT


Hi,

I want to create prmtop and inpcrd files for the amino acid
pheylalanine (neutral) which has terminal groups NH2 (not NH or NH3+)
and COOH (not CO or COO-). Amber force fields contain NPHE, CPHE and
PHE residues. Can anyone please suggest how to create these files.

Thanks,
Madhurima

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