Re: AMBER: how to include EXTRA POINTS in AMBER8

From: David A. Case <case.scripps.edu>
Date: Mon, 4 Dec 2006 08:23:15 -0800

On Mon, Dec 04, 2006, Rachel wrote:
>
> I have been trying to include some massless extra points in my system,
> however not successful, and the program kept complaining that 'vlimit
> exceeded for step 0, vmax=infinity',

First, did you try making the masses non-zero to see if the error changes or
goes away?

Second, do the names of your extra point atoms begin with the letters "EP"?

...dac
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Received on Wed Dec 06 2006 - 06:07:31 PST
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