[gmx-users] running in double precision

[Rui Qiao]

Hi, list:
	I wish to run one of my simulation in double precision and see
what difference can I get. Previously I installed the single precision
version of Gromacs and this time I just re-compile the
"mdrun" program and leave other programs (e.g., grompp) unchanged. When I
run the double precision code, it says:

Getting Loaded...
Reading file init4.tpr, VERSION 3.0.5 (single precision)
Reading file init4.tpr, VERSION 3.0.5 (single precision)
Loaded with Money
....

	Does this mean that the code is still running in single precision
or simply tell me that the ".tpr" file is obtained from single precision
code?

	Thanks a lot.

	sincerely,

	Rui

------------------------
Rui Qiao
Research Assistant
Beckman Institute, UIUC