[gmx-users] g_energy -fee -f2

Ilya Chorny ichorny at maxwell.compbio.ucsf.edu
Thu Sep 18 18:19:00 CEST 2003

Previous message: [gmx-users] rigid linear molecules
Next message: [gmx-users] g_energy -fee -f2
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

How does one generate a second energy file for the -f2 option with perturbed
energies for FEP calculation?

Ilya

Previous message: [gmx-users] rigid linear molecules
Next message: [gmx-users] g_energy -fee -f2
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

More information about the gromacs.org_gmx-users mailing list