Dear AMBER Netters,
I need to run MD simulations in AMBER and, for some reasons, I cannot
use the periodic boundary conditions. Thus, I cannot use PME
electrostatics calculation as well. I saw in the literature several
truncation methods (switching function or force-switching function)
which can help to alleviate the effect of long-range electrostatics
truncation, if PME is not used.
But, I was unable to find any trace of such methods either in AMBER 6.0
documentation, either in AMBER 6.0 source files. Thus, I am wondering
whether these methods are implemented in AMBER 6.0 or 7.0, or whether
some of you are using AMBER with such methods.
Thank you for your help,
Thérèse Malliavin
Laboratoire de Biochimie Théorique
IBPC, Paris, France
Received on Fri Jul 19 2002 - 06:21:59 PDT
