AMBER Archive (2003)

Subject: polarization + ewald

From: GUILBAUD Philippe 153683 (GUILBAUD_at_atil.cea.fr)
Date: Mon Jan 27 2003 - 05:21:44 CST

Dear amber users,

I am trying to run molecular dynamics simulations (in a water - POL3 - box)
using polarization and ewald summations with AMBER6.

In all cases, while the INDUCED polarization term is constant, the PERMEN
term does not stop raising along the simulation (this term is stable
without ewald). Has anyone experienced this kind of simulations ? Is this a
bug in AMBER ?

thanks in advance for you responses,

P. Guilbaud