AMBER Archive (2003)

Subject: Re: Zn2+ parameters

From: Robert G. Endres (endresrg_at_ornl.gov)
Date: Sat Jan 25 2003 - 14:25:36 CST

Hi T.-X.

Zn2+ parameters are already included in force field, e.g. in "parm99.dat"
which also gives a reference. However, in order to use them, you have to
create a new "ions94.lib" file which doesn't have Zn by default:
modify script "ions94.cmd" and type "make" to create new lib file.
Hope this helps.

-Robert

On Fri, 24 Jan 2003, Xiang, Tian-Xiang wrote:

> Hi, anyone have a parameter set for Zn2+?
>
> T.X. Xiang
>
>