Re: [AMBER] amber tutorial A15

From: David A Case <case.biomaps.rutgers.edu>
Date: Tue, 14 May 2013 06:35:12 -0400

On Tue, May 14, 2013, yanyuna wrote:

> >>When I run the MD in the amber tutorial A15 "Tutorial: A
> >>room-temperature ionic liquid", I have add "iwrap =1" ,but the restart
> >>file was still wrong because of the Explosion of the molecules . How
> >>can I solve this problem?

The "min1.x" file already has the problem, as far as I can tell. You should
study the output of the minimization to look for problems.

...dac


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Received on Tue May 14 2013 - 04:00:03 PDT
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