[gmx-users] How to calculate total enery of a protein

[csreddy at ncbs.res.in]

Hi,
I am new to gromacs, I wold like to calculate the total energy of a
protein molecule, in other words i have pdb structures what is the energy
of this molecule? Is there any option to in GROMACS to do this.

Thanks in advance
Regards
Chandu


--------------------------------------------------
C.Chandra Sekhar Reddy (Research Scholar)
Laboratoire de Biochimie et Génétique Moléculaire
Université de La Réunion
15, avenue René Cassin
97715 Saint Denis Messag Cedex 09
La Réunion, France
Tel : +262 262 93 8641 MOB +262 (0)692 44 49 42
Fax : +262 262 93 8237
--------------------------------------------------