AMBER Archive (2009)
Subject: Re: [AMBER] thioglycoside
From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Mon Jan 26 2009 - 09:07:37 CST
> I want to make a cysteine which has an S-link to a mannose. If I take
> CYM, protect the N and C-function and then set the S-atom to tail and
> connect this to 1MA I can't save my top and crd. I also tried to make
> the molecule with antechamber but again, I couldn't save the top and
> crd files. Does anybody has an idea or experience with this problem?
I think you could follow the strategy reported @
I would even vote for the second strategy, i. e. building a new Cys
residue as well...
AMBER mailing list