[gmx-users] Calculating energies of peptides in protein uisng g_energy

Mark Abraham Mark.Abraham at anu.edu.au
Wed May 16 06:13:12 CEST 2007

abhigna polavarapu wrote:
> Hi Mark,
>              I am not getting that error before with unmodified .mdp file.
> Abhigna

Well, use diff on your before and after .mdp file, because if you've 
only modified energygrps then I don't think this error can be occurring.


More information about the gromacs.org_gmx-users mailing list