[gmx-users] Pull code methods?

bmmothan at ucalgary.ca bmmothan at ucalgary.ca
Wed Aug 15 22:20:03 CEST 2007

Dear all,

I have been reading the literature, mailing list and the manual.

There is some questions that I cant understand:

1) there is three methods for the pull code: constraint force, AFM and

in both AFM and Constraint force, there is an option of the rate of
pulling (contraint_rate, AFM_rate), however, for umberalla, there is only
two options, a foce constant and position to be specified!
my question is: how is the pulling controlled in umberalla sampling option?

2) if I want to do an AFM pulling...what is a reasonalble force constant
to use? it seems people are using different K ranging from 10 to 1000's?

thank u


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