feenstra at few.vu.nl
Tue May 17 13:59:21 CEST 2005
Joanne Hanna wrote:
> Many thanks for this reply.
> Would you be able to tell me what the value range is for the position restraints, is 1000 the max? and what do these values mean in terms of the strength or flexibility in the restraint. I have had a look in the manual but could not locate the section relating to the inference of these values.
Relate it to the strength of bonds, angles and dihedrals, or directly to
the termal energy (rT ~ 2.5 kJ/mol @ 300K).
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