AMBER Archive (2003)

Subject: AMBER: Zinc parameters

From: Annette Höglund (hoeglund_at_informatik.uni-tuebingen.de)
Date: Tue Nov 18 2003 - 07:19:28 CST

Dear Amber users,

I am running simulations on a protein that contains Zn ions, and I am
missing a few parameters needed in leap for the Zinc ion. The zinc is
being coordinated by two HIS and two CYS, more specifically HID and CYX.
I have not been able to view the
www.amber.ucsf.edu/amber/ONet/index.html, has it been moved to a new
location? The parameters I need are for the frcmod file follow below.

Thanks in advance!

Annette
........................................................
MASS:
?

BOND:
S-Zn
NB-Zn

ANGLE:
S-Zn-S
S-Zn-NB
CT-S-Zn
CV-NB-Zn
NB-Zn-NB
CR-NB-Zn

TORSION/DIHE:
S-Zn-S-CT
S-Zn-NB-CR
S-Zn-NB-CV
CT-S-NB
CV-NB-Zn-NB
NB-Zn-NB-CR
NB-Zn-NB-CV
CR-NB-Zn-NB
CT-S-Zn-NB

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