AMBER Archive (2007)

Subject: AMBER: FW: Query regarding using tleap for preparing carbohydrate molecule

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Sun May 06 2007 - 20:31:24 CDT

Dear Neha,

I am forwarding your email to the amber mailing list which is where such
questions should be posted. Please see the http://amber.scripps.edu/ for
details on how to subscribe if you are not already.

-----Original Message-----
From: Neha Sureshchandra Gandhi [mailto:n.gandhi_at_postgrad.curtin.edu.au]
Sent: Friday, May 04, 2007 00:22
To: ross_at_rosswalker.co.uk
Subject: Query regarding using tleap for preparing carbohydrate molecule

Dear Prof.Ross,

I am using AMBER for the first time and following your tutorials for
AMBER. I want to perform MM PBSA simulations for carbohydrates (gags
which are highly anionic molecules). I am using Glycam04 forcefield but
I get errors (log file is attached for your reference). Kindly advice
how do I get my files working?

Thank you for your kind attention. Awaiting your favorable reply,

Best Regards,
Neha Gandhi,
Research Scholar,
School of Biomedical Sciences,
Curtin University of Technology,
Kent Street, Bentley,
Western Australia 6845
Phone: +61 8 92663445

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