Changeset 79cd79 for util/configure.ac

Timestamp:

Sep 9, 2008, 8:37:07 AM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

8e52aa

Parents:

ec4e84

Message:

new function: molecule::OutputTemperatureFromTrajectories() stores velocities as temperature

In order to use VibrAlyzer we need a temperature file, which we don't have anymore as we do the M
D in molecuilder now. Hence, there is a new command line switch (-L) and a menu item in MeasureAt
oms() in order to print temperature or to store it to a given file.

(No files)