[AMBER] conformation search

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Thu, 27 Jan 2011 19:56:23 +0530 (IST)

Hello all

I have a protein exist in two conformation inactive and active.To become active
from inactive here is a N-terminus helix undergos ~90degree rotation.

Is it possible to achive this by MD simulation?

If possible then which technique should apply here?

Since I ran very short 1.2ns SGLD and I didnt get any conformational changes.

Should I increase the SGLD run?


Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH


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Received on Thu Jan 27 2011 - 06:30:02 PST
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