[gmx-users] chromophore parameters for Molecular Dynamics

Justin A. Lemkul jalemkul at vt.edu
Fri Jan 11 17:01:58 CET 2008

Quoting Anthony Cruz <acb15885 at uprm.edu>:

> Hi users:
> I am working in a new projec and we plan to do some molecular dynamic
> experiment to an engineered GFP molecule.  I have been searching for the
> parameters for the GFP chromophore without success. Can some one help me? Any
> reference or parameters??

Unless someone has already developed them, you'll have to do it yourself (not an
easy task).  See here:





> Best Regards,
> Anthony
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list