AMBER Archive (2009)

Subject: Re: [AMBER] leap and chirality

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Mon Mar 23 2009 - 08:16:14 CDT

On Mon, Mar 23, 2009, Karl Kirschner wrote:
>
>         I am having some trouble with the chirality of a nonstandard reside
> that I made....

One good thing to do would be to download AmberTools1.2, and see if the
problem persists with sleap. Wei is working with Matt and Lachele at
UGA to try to make the new codes do the right thing here.

Of course, this doesn't fix tleap, but I'm not sure who will have the
time or energy to do that.

...dac

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