AMBER Archive (2006)

Subject: AMBER: About statistics results in MMPBSA_DC pair

From: 莉 张 (zhli_an_at_yahoo.com.cn)
Date: Wed Mar 22 2006 - 09:22:17 CST

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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