VMD-L Mailing List

From: Vlad Cojocaru (Vlad.Cojocaru_at_mpi-bpc.mpg.de)
Date: Sun Jul 27 2003 - 14:34:03 CDT

Dear VMD and NAMD users,
 I am trying to get some answers about namd. I dont know if there is a
maillist for NAMD. I have questions regarding:
1. The TIP3P water model from Amber (the angle H-O-H is not maintained
during the simulation) and I was wondering if applying constraints on
this angle would solve the problem.
2. The manual is very scarce regarding the temperature coupling scheme
and I was wondering how to apply the same protocol as in Amber when
using "ntt=1" and "tautp=2.0"?
I was trying to send this questions to the maillist but couldnt find.
I would appreciate any answer,
Thanks
Vlad 

-- 
Vlad Cojocaru 
Max Planck Institute for Biophysical Chemistry 
Department: 060 
Am Fassberg 11, 37077 Goettingen, Germany 
tel: ++49-551-201.1327 
e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de
home tel: ++49-551-9963204