Hi All,
I want to go for Normal Mode Analysis of a protein in water. I have done the
energy minimization of the protein with water molecules. But now I want to
calculate the Hessian Matrix with only the protein molecules and not the water
molecules. Please tell me how to do that. Is there any option in GROMACS?
Please suggest.
Regards,
Anirban Ghosh
M.Tech Bioinformatics
University of Hyderabad
Hyderabad - 500 046
Andhra Pradesh
India
---------------------------------
Unlimited freedom, unlimited storage. Get it now_______________________________________________
gmx-users mailing list [email protected]
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 [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
