AMBER Archive (2008)

Subject: AMBER: disulfide bridge with ff03ua FF

From: Marcin Krol (
Date: Thu Jan 31 2008 - 12:30:56 CST


I want to create a disulfide bridge using ua ff, but there is no CYX
residue type. When I tried with CYS leap complained about missing
parameters for SH-SH bond and angles. In fact, there are no such
parameters in frcmod.ff03ua. Does it mean that I can't have disulfide
bridges in ff03ua?

Thanks in advance for your answers

Dr Marcin Krol
Biomolecular Modelling Laboratory
Cancer Research UK
London Research Institute
44 Lincoln's Inn Fields
London WC2A 3PX

Telephone: 020 7269 3033 Fax: 020 7269 3258 E-mail:

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