Dear all,
I meet a strange thing when I calculate the residue energies using the mmpbsa. Some days ago, I calculated the DC energy successfully (file 1)according to the example: 05_MMPBSA_Decomp_Residue. But now, when I analyse the energies of the per-pair residues (file 2) according to the example: 06_MMPBSA_Decomp_Pair, the mm_pbsa_statistics.pl doesn't work after all out files are calculated. The two input files are similar, only "DCTYPE 2" in file 1 is replaced by "DCTYPE 3" in file 2. Why not get statistics.out file?
Please give me some suggestions.
Thanks in advance.
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Received on Sun Mar 26 2006 - 06:10:13 PST
