[gmx-users] Regarding Gas Phase Torsional Energetics
Ravi Kumar Venkatraman
ravikumarvenkatraman at gmail.com
Thu May 17 13:14:54 CEST 2012
How to get torsional energetics in gas phase? We can restraint
the dihedral at different angle and calculate the energy at each angle or
any other way is available.
Thank you in advance
Ravi Kumar Venkatraman,
IPC Dept., IISc,
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