Force constant of harmonic restraint

Date: Thu May 12 2005 - 03:50:11 CDT

Hello, I use harmonic restraints in my simulation and used the 'Build Gramicidin' tutorial to write a script similar to 'restrain_ca.vmd'. But I am pretty confused about the meaning of the constant 0.5 used in the script. Does it represent the constant force Kf or only its half value Kf/2 ? In other examples I have seen, there are only small values (inferior to 5). I would like to apply constraints of 50 kcal/mol/A on the backbone of my protein. Which value shoud I use in my pdb file: 50, 25, 5...? Thanks for your help Delphine

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:40:45 CST