AMBER Archive (2003)

Subject: AMBER: initial velocity

From: Fan Gao (Gao.Fan_at_mayo.edu)
Date: Fri Dec 19 2003 - 18:56:16 CST

Dear Amber users,
I have several questions for initial velocity in the MD simulation. I'm
wondering if each atom has been assigned with a random initial direction
and value of velocity in the starting frame? What is the advantage of
running a series of short MD simulations with different starting frames
compared with running a long MD simulation? How important is initial
velocity for the MD simulation? How can we change the initial velocity for
the simulation?

Fan
Fan Gao

Receptor Biology Lab
Medical Science Building 1-145
Dept. of Physiology & Biomedical Engineering
Mayo Clinic, College of Medicine
Rochester, MN 55905
USA

Tel: 507-284-8461
Fax: 507-284-9420

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