AMBER Archive (2009)

Subject: Re: [AMBER] radius for Manganese ion

From: E.M. (pckboy_at_gmail.com)
Date: Sun Aug 30 2009 - 18:38:38 CDT

Same situation here,

I just got a radius from the periodic table, . . . the real problem is
when you try to do
energy decomposition analysis, one needs more parameters and those are
the ones we need

Any idea if those are implemented on amber10?. Can we borrow them from
there?

Regards

Eduardo
Chunliyan wrote:
> Dear amber user,
> I want to calculate the free energy using mm/pbsa, but my system
> contains one Manganese ion. I can't find the radius for Manganese ion. Would
> you kind to help me where to find radius for Manganese ion. Thanks.
> Chunli Yan
>
> All the best,
>
> The University of Texas at Austin
>
> -Chunli
> chunliyan_at_mail.utexas.edu
> <chunliyan_at_mail.utexas.edu">http://cn.mc150.mail.yahoo.com/mc/compose?to=chunliyan_at_mail.utexas.edu> or
> chunliyan_at_yahoo.com.cn
> <chunliyan_at_yahoo.com.cn">http://cn.mc150.mail.yahoo.com/mc/compose?to=chunliyan_at_yahoo.com.cn>
>
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