[gmx-users] units of force constants in posre.itp file
Mark.Abraham at anu.edu.au
Wed Jan 31 00:43:22 CET 2007
Michael Brunsteiner wrote:
> didn't find anything in the manual or online docu.
> Is it kJ/mol/nm^2 ???
Yes - this is the unit for all other forces wrt distances.
> if yes, the default values (1000.0) given in the posre.itp
> produced by pdb2gmx are a bit on the large side, or are
> they not ??
Shrug... that depends how serious you are about restraining the
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