water tail correction

From: Floris Buelens (floris_buelens_at_yahoo.com)
Date: Wed Apr 29 2009 - 05:51:55 CDT

Hi Peter,

I notice that NAMD 2.7b1 contains an implementation of water tail corrections for energy and pressure - can you give some more details? Is this comparable to the GROMACS dispersion correction scheme? Is this ready for use? Is it general in scope (i.e. independent of water model and cutoff / switching scheme)?
thanks a lot,

Floris

      

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:50:50 CST