AMBER Archive (2008)

Subject: AMBER: Querry about simulating a glycopeptide

From: dipti lele (diptisl86_at_gmail.com)
Date: Tue Aug 12 2008 - 05:23:24 CDT

Hello everyone.

   As per your help now I could get the parameter files for the carbohydrate
moiety for my glycopeptide. When I minimised the energy and went for the
simulation. The bond between thr and the carbohydrate moiety is found to be
broken. Why is this happening? I did not get it. Do I need to use any
constraint? 

-- 
Deepti Lele,
NII, New Delhi.

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