AMBER Archive (2000)

Subject: TAUP

From: Surjit Dixit (surjit_at_lctn.u-nancy.fr)
Date: Fri May 12 2000 - 14:18:35 CDT

Hi,
I would appreciate if somebody could kindly clarify the definition of
TAUP, the pressure relaxation time. The manual has the following to
say about it 

---
TAUP: Pressure relaxation time (in ps), when NTP > 0. The recommended
value 
is between 1.0 and 5.0 psec. Default 0.2. 
---
I am confused by the default value defined to be 0.2 as against the
recomended range of 1.0 to 5.0 and the units of TAUP in ps.
I thank you for your time.
Regards,
Surjit

-- 
Surjit B. Dixit, Ph.D.                    Email: surjit_at_lctn.u-nancy.fr 
Laboratoire de Chimie Theorique, U.M.R. C.N.R.S. #7565, B.P. 239        
University Henry Poincare-Nancy I, 54506 Nancy-Vandoeuvre Cedex, France
Phone: 33-3-83.91.20.00 Extn:3588         Fax: 33-3-83.91.25.30