RE: AMBER: parameter for sulfur in thio-octyl-glucopyranoside

From: Spero Manolatos <>
Date: Thu, 12 May 2005 18:08:49 -0400

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-----Original Message-----
From: [] On Behalf Of
Vijay Manickam Achari
Sent: Monday, May 09, 2005 11:23 PM
Subject: AMBER: parameter for sulfur in thio-octyl-glucopyranoside


Dear ,

I am attempting to model micelle of thio-octyl-glucopyranoside.

I tried to model the residue of thio-octyl-glucopyranoside using xleap

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

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 Thu May 12 2005 - 23:53:00 PDT
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