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AMBER Archive (2001)Subject: How to calculate energy from mdcrd output file
From: Khatcharin Siriwong (siriwong_at_theochem.tu-muenchen.de)
Dear All,
I would like to calculate energies (bond, angle, torsion, vdw, elec, and
1. How to calculate those energies?
2. If I calculate by sander with imin=0 (MD calculation) from the mdcrd
3. What is the format of mdcrd file?
Many thanks for your kindness.
Sincerely Yours,
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