Reading the mailing list and the wiki as well, I see that GROMACS has
little support for implicit solvent. However, I'm interested in
simulating charged polymers (small spheres connected with springs) in
an aqueos salt solution (more spheres). Assuming no dielectric
boundaries -- i.e. a uniform dielectric continuum -- I thought of
setting epsilon_r to 80. Clearly the dynamics will be wrong but I'm
interested in static properties only. Do you see any pitfalls with
this approach?
Best,
Mikael
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
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