CCL:ADMP in G03 - temeperature?
- From: Patrik Johansson <patrikj-.at.-fy.chalmers.se>
- Subject: CCL:ADMP in G03 - temeperature?
- Date: Wed, 02 Jun 2004 15:18:19 +0200
Dear CCLers,
Has anyone tried the ADMP part included in the G03 package and tried
to
control the temperature?
I would basically like to run two simulations at two different
temperatures - but I do not know how to control this - by initial
velocities of the centra applies only to NVE?
If anyone from Gaussian is listening I would be happy for some response.
sincerely
/Patrik