Devin Averett wrote:
Hi-
I am trying to add an extra repulsive potential for neighboring hydroxyl
groups on a carbon chain and have heard that this can be done using
table functions. Is there a good resource on how to create these table
function files or even someplace where I could get an example of them?
That's upside-down. You can add an extra potential in the topology. If
you need a functional form you might choose to add a table potential.
Either way, you'll need to know chapter 5 in the manual, and some other
sections for table potentials.
Mark
_______________________________________________
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
