Date: Wed, 02 Aug 2000 15:20:06 +0900
From: Kouji Hayama
Subject: Re: Ca2+ parameters

Hi Jarrod.

I recentry had same quastion in this mailing list.
I get the advice to study the paper...

T.P.Straatsma & H.J.C. Berendsen, JCP, 89(9), 1988, 5876-5886.
S.Koneshan, ..., & S.H.Lee, JPC B, 102, 1998, 4193-4204.

and

"J.Aqvist, J.Phys.Chem.1990, 94, 8021-8024"

etc.

I am reading the paper and I have the next question 'how adapte the
parameter to parm94.dat'.


Jarrod Smith wrote:
>
> Does anybody have parameters (or even better, a LEaP library) for
> calcium +2 ion? Also, can someone point me to information about
> creating counterions in LEaP? A quick look through the manual didn't
> yield anything.
>
> Thanks in advance
>
> Jarrod A. Smith