[gmx-users] About Zinc coordination

Kukol, Andreas a.kukol at herts.ac.uk
Fri Feb 19 09:23:22 CET 2010

If you are new to Gromcs you must study all the documentation/tutorials/HowTo's first, in particular this one about parametrization of new molecules:




From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of babu gokul
Sent: 19 February 2010 08:12
To: gmx-users at gromacs.org
Subject: [gmx-users] About Zinc coordination

Dear all
I would like to simulate the molecule which consist of a zn atom coordinated to four CYS residue.  I would like to know how to insert the parameters for zn coordination. As I am new to Gromacs I would like to have detailed description.I would like to use OPLS force field.
Thanking you
E R Azhagiya singa

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