[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 singam Your Mail works best with the New Yahoo Optimized IE8. Get it NOW! http://downloads.yahoo.com/in/internetexplorer/-- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
[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 Your Mail works best with the New Yahoo Optimized IE8. Get it NOW! http://downloads.yahoo.com/in/internetexplorer/-- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
RE: [gmx-users] About Zinc coordination
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: http://www.gromacs.org/Documentation/How-tos/Parameterization Andreas --- From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of babu gokul Sent: 19 February 2010 08:12 To: gmx-users@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 The INTERNET now has a personality. YOURS! See your Yahoo! Homepage. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
