[gmx-users] uniform dielectric constant
Mikael Lund
kemikael at gmail.com
Wed Jul 18 19:45:18 CEST 2007
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
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