Gentlemen; Please remove Spero Manolatos from your mailing list.
Sperom.verizon.net. Thank you.
-----Original Message-----
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
Vijay Manickam Achari
Sent: Monday, May 09, 2005 11:23 PM
To: amber.scripps.edu
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
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
_____
<
http://uk.messenger.yahoo.com> Yahoo! Messenger - want a free & easy way
to contact your friends online?
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu May 12 2005 - 23:53:00 PDT
