pawan raghav wrote:
Dear Justin,
I want to know about
1. How to run MD simulations with multiple structures?
Place whatever components you need in the box with editconf, genconf, etc. and
run the simulation. There's really nothing special about having more than one
structure (I'm assuming protein?) in a single unit cell. Usually such a system
can be built entirely with editconf - define the box, use -center, -translate,
and/or -rotate to position your molecules and proceed.
-Justin
--
Pawan
--
========================================
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
