Dear Amberers,
I would like to constrain some backbone dihedral
angles
to be in a certain range during MD run for ssDNA.
For example: for Base5 I want -90 < alfa < -50
for Base7 I want 30 < gamma < 80
1. I can setup GROUP spesification, but I do not think
this will constrain my dihedral angles to some range.
Or
2. I could use NMROPT=1 option. This seems like a
better option, but I am still not sure if this is what
I want. What values of r1->r4, rk1->rk4 should be
used?
Thank you in advance.
Eva.
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Received on Wed Nov 28 2001 - 10:14:38 PST
