Hello AMBER developers/community,
I am working on AMBER distance restraints for a DNA system and came across
the CPPTRAJ rst command documentation:
https://amberhub.chpc.utah.edu/rst/
<
https://amberhub.chpc.utah.edu/rst/?utm_source=chatgpt.com>
I wanted to ask if anyone would be open to discussing how this script can
be utilized for DNA structural studies.
I also want to confirm the unit of force/force constant used for rk2 and rk3.
Is it in *kcal mol⁻¹ Å⁻²*, as used in AMBER NMR-style restraints?
Any guidance or examples for DNA systems would be very helpful.
Regards,
Manasa
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon May 11 2026 - 04:00:02 PDT
