AMBER Archive (2003)

Subject: tautp in gibbs

From: Sophia Kondratova (x357l_at_unb.ca)
Date: Mon Mar 03 2003 - 14:57:03 CST

What is a good value for tautp for gibbs simulations (FEP) using the NPT
periodic
boundary conditions. The reason I am asking is because the default in sander
is 1.0
while the default in gibbs is 0.1, even though both are doing MD simulations.

Thanks in advance for any help

Sophia Kondratova