MD condition

From: hamze rahimi (buksanbio_at_gmail.com)
Date: Sun Aug 14 2011 - 05:02:36 CDT

Dear expert

I have a protein model from Modeller. Now I want study the stability of my
model and used this model for docking. In your opinion

Which of these MD conditions is necessary for me?

Constant energy, constant number of particles (NE)

Constant energy, constant volume (NVE)

Constant temperature, constant volume (NVT)

Constant temperature, constant pressure (NPT)

Please let me know if there are any reference for such subject.

Best regars

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