While running the command getting following error given below:
do_dssp -s md.tpr -f md.xtc
Fatal error:
Not enough memory. Failed to calloc -1082130432 elements of size 4 for grps[j].nm_ind
AS, I have run 100 ns simulation in desmond on protein-ligand complex. Can anyone help me out to converting the desmond trajectories into gromacs, thus i can further perform pca analysis. Thanks...
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