Re: [AMBER-Developers] Ions parameters in ff12SB

From: David A Case <case.biomaps.rutgers.edu>
Date: Wed, 26 Feb 2014 09:56:31 -0500

On Wed, Feb 26, 2014, Gustavo Seabra wrote:

> As far as I can tell, I’m using an up-to-date version. After Jason’s
> changes, I did a “git clean -d” as you suggested, followed by “git
> pull”.

Did you re-check the problem? Do this:

tleap -f leaprc.ff12SB
> list

Do you not see Na+, K+ and Cl- on the list? Works for me. If you are not
seeing these, we'll have to debug what is different between your machine and
mine.

...dac


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Received on Wed Feb 26 2014 - 07:00:03 PST
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