AMBER Archive (2008)

Subject: AMBER: Differentiating the force constant of distance restraints

From: Francesca Poletti (fp_80_at_yahoo.com)
Date: Thu Oct 16 2008 - 03:40:16 CDT


Hi all,
I have a file, created with the tool makeDIST_RST, containing 3 distance restraints between 3 couple of atoms, but the indication of rk2 and rk3 is present only for the first one. Is it possible to apply different force constants for the other 2 restraints? and in this case, it is sufficient to add the rk2 and rk3 values to the other rows or I have to modify this file in a different way?
thanks,
Francesca

      

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