[gmx-users] after g_morph, how to calculate energies?
Mark.Abraham at anu.edu.au
Sun Apr 30 13:38:12 CEST 2006
Rongliang Wu wrote:
> Hello, gmx-users，
> i have generated a series of conformations of my molecule using the command "g_morph", but how can i get the correspongding energies for each conformation?
Do a zero-step energy minimization.
> if i want to make an estimation of the energies of each conformation of polypropelene(two chain unites), how can i get those conformations which might be beyond the ability of g_morph?
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