Hi,
I would like to use the 3D IPS/DFFT method for calculation of both
electrostatic and vdw interactions (ips=4) for my membrane-like system
using pmemd.cuda.
Both pmemd and pmemd.cuda complain about ips values larger than 1. Is
the 3D IPS/DFFT not implemented into pmemd and pmemd.cuda yet?
I updated Amber very recently (like yesterday) before trying so I should
have the latest version.
Cheers,
Martin Andersson
University of Copenhagen
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Received on Wed Sep 05 2012 - 01:30:02 PDT
