Units with colvars module

User discussions
1

GROMACS version: 2021.6-Colvars-2022-12-16-dev
GROMACS modification: No
Hi all,
a probably silly question to be sure I understood correctly the ref manual: when defining distance in colvar file, if I do not specify the keyword “units”, it is assumed that the unit is nm, so if I have to define an upper boundary of 60 angstrom, I should use 6, is that correct?

Thanks in advance

2

Correct, when using GROMACS the only allowed value would be units gromacs, which is the default anyway so you don’t need to specify it.

Other values should give you an error: if they don’t, please report it as a bug.

Giacomo

3

Hi Giacomo,
thanks for further clarification.

Stefano