Ajit Datta wrote:
Hello everyone,
I am trying to do normal mode analysis for a protein using Gromacs.
Can anyone point me out towards a sample mdp file that I could edit for this
purpose?
There are some general pointers here:
http://www.gromacs.org/Documentation/How-tos/Normal_Mode_Analysis
Aside from that, search the literature; published papers should have
reproducible methodology :)
-Justin
Thanks
Ajit B.
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list gmx-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
