CHARMm DNA cutoffs

[WSONNEN[ AT ]EAGLE.WESLEYAN.EDU]

 Dear Netters,
 I am interested in gathering information about DNA simulations using
 the CHARMm force field. In particular, i would like to know what cutoff
 algorithms (switching vs shifting), cutoff distances (including hydrogen
 bonding), etc were used. I would like to know this information for both
 vacuum and solvated (especially solvated!) simulations.
 I already know what is in the literature, so i don't need anything already
 published. What i would like is some feedback on results, by CHARMm users,
 on DNA (or relevant systems) that have not been published.
 I am working with CHARMm 21.3. I would prefer information on this force field,
 as the force fields in previous CHARMm versions are different. I have done
 some simulations on vacuum and solvated DNA with both the switching and
 shifting algorithms. I don't have the time or resources to do an
 extensive analysis on the cuttoff distances for switching vs. shifting
 algorithm. Along these lines, i must emphasize that i am interested
 in solvated simulations!
 Any input on your part would be greatly appreciated. This information
 is for my own purposes---helping me decide on what parameters to use in
 a DNA simulation. If there is enough input and enough interest, i will
 summarize the results on the net.
 Sincere thanks,
 Wayne Sonnen
 wsonnen[ AT ]eagle.wesleyan.edu