[gmx-users] Regarding Gas Phase Torsional Energetics

Ravi Kumar Venkatraman ravikumarvenkatraman at gmail.com
Thu May 17 13:14:54 CEST 2012

Dear All,
             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

*With Regards,
Ravi Kumar Venkatraman,
IPC Dept., IISc,
Bangalore, INDIA.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120517/25021cb8/attachment.html>

More information about the gromacs.org_gmx-users mailing list