olenz/espresso — pull request #14 by samins (2012-03-18 14:19:32+00:00)
Title: ghmc test case and documantation

Hi Olaf,

As you requested, I added a test case for ghmc, the file "thermostat2.tcl". This file is identical to the langevin test case except for the thermostat command. I tested it 10 times (with and without rotation) and it is was OK. I also added the ghmc thermostat documentation following the langevin thermostat documentation (since the two are related).

Best wishes,

Sela.