Re: [AMBER] Problems with TIP5P water

From: case <>
Date: Wed, 26 Jan 2011 09:01:54 -0500

On Wed, Jan 26, 2011, wrote:
> Now I am using a cut off of 8 A, and all works well.

Glad to hear it. Generally, one should be careful about changing defaults,
unless you have a good reason.

> I set in the minimization input file ntf = 2, and I have no more
> problems during minimization. Now the question is: is this correct, or
> just a trick which can badly affect following steps?

No, what you did is correct.


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Received on Wed Jan 26 2011 - 06:30:04 PST
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