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Hello Raik-- > > There still is something missing from my Torsion dynamics setup and I > am running out of ideas. I added potential terms (although there seems > to be a problem with the RAMA potential terms, see below). The system > simulates and prints out energies but, eventually, nothing seems to > move: > Do the energies change in time? Do they have reasonable values? What are you trying to accomplish with this calculation? best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.9 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAkpZu48ACgkQPK2zrJwS/lbMLACbBgsMaiAaKGVr4GhFDsIkKEa9 qkAAn1hnOojca1HmvDnD/EOOiWdf+MzF =A+tk -----END PGP SIGNATURE-----
