nishap.pa...@utoronto.ca wrote:
Hello,
I want to simulate a simple NaCl ion in water. I know the method
using genion which adds individual Na+ and Cl- ion, but I wish to
simulate Na-Cl connected rather than free ions floating in water. When I
ran the grompp command I got the error:
No default Bond types
So I am thinking, I need to add b0 and Kb values for NaCl? Is that correct?
I would really appreciate some help!
This really is a case where you can try it and see much faster than it will take
you to type the email asking for help :)
Presumably, if you want a bond, and there are not parameters for it already
built in, then yes, you need to actually define the bond.
-Justin
Thanks.
-Nisha P
--
========================================
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
