Re: [AMBER] conformation search

From: Carlos Simmerling <>
Date: Thu, 27 Jan 2011 10:25:55 -0500

What is it that you want to learn that you do not already know? That will
decide what type of simulation is best.

On Jan 27, 2011 9:27 AM, "Sangita Kachhap" <> wrote:

Hello all

I have a protein exist in two conformation inactive and active.To become
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

Should I increase the SGLD run?

Sangita Kachhap

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Received on Thu Jan 27 2011 - 07:30:04 PST
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