VMD-L Mailing List

From: Zeinab Emami (zemami_at_ku.edu.tr)
Date: Wed Oct 22 2014 - 09:00:53 CDT

Dear Christopher Mayne, Dear Namd Experts,

I intend to submit a Gaussian 09 run for my ffTK calculation. In preparing
the input file for the Gaussian 09 calculation, should I check the
solvation panel, i.e. for ffTK parameter file preparation, should the Q.M.
calculation be done for solvated molecule?

Best Regards,
Zeinab Emami