AMBER: parameter for sulfur in thio-octyl-glucopyranoside

From: Vijay Manickam Achari <>
Date: Tue, 10 May 2005 04:23:07 +0100 (BST)

Dear ,
I am attempting to model micelle of thio-octyl-glucopyranoside.
I tried to model the residue of thio-octyl-glucopyranoside using xleap editor.
After model I tried to save the single residue using SAVEAMBERPARM command.
But it failed to save.
It says improper torsion angles.....
How am I should go ahead of this problem?
Where do I can get the parameter for sulfur and glucopyranoside head of sugar?
In which file I should look for the parameters and how to alter them?
Can any good self help me to overcome this probem?
Thank you very much
With high hope.
Vijay Manickam Achari

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Received on Tue May 10 2005 - 04:53:00 PDT
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