Re: ntx=7, irest=0

From: David A. Case <>
Date: Fri 22 Nov 2002 18:36:28 -0800

On Fri, Nov 22, 2002, Marcela Madrid wrote:

> If I use ntx=7, irest=0,
> will this ignore the velocities in the input file (restrt)
> and generate new velocities ?

Yes, this will generate randomized velocities, using the input values
of tempi (to the initial temperature) and ig (to determine which pseudo-random
sequence of numbers to use.)

Be aware that the default value of tempi is zero; that's probably not what
you want, so you will have to enter some non-zero temperature in the input

..good luck...dac

David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
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Received on Fri Nov 22 2002 - 18:36:28 PST
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