Hi all,
I am trying to build an elastic network model using only
C-alpha atoms . Potential energy function contains only bond
stretching energy term rest like angle,dihedral and non bonded are not
included. I use bond function type(f.tp = 6) ,i.e. is harmonic bond
potential . The problem is that atoms connected by harmonic potential
are rotating . I do not want to use any constraints. How can I fix
this ?
Thanks in advance,
--
Mohan
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