[gmx-users] binding energy calculation when appear this error: no distance restraints in topology
fr_750 at yahoo.com
Sun Apr 14 15:38:54 CEST 2013
After simulation of gold-protein interaction, now I want to calculate binding energy of each residue to gold. but when I use g_energy command appear this error:
No distance restraints in topology
How can I calculate binding energy without running simulation again(because it takes about one week and I need this result as soon as possible) ?
More information about the gromacs.org_gmx-users