\-/  
  -/-   PTRAJ: a utility for processing trajectory files
  /-\  
  \-/   Version: "AMBER 10.0 integrated" (2/15/2008)
  -/-   Executable is: "/root/Documents/amber10/exe/ptraj"
  /-\  
  \-/   Residue labels:

 LYS  GLY  LYS  LEU  PRO  PRO  GLY  PRO  THR  PRO 
 LEU  PRO  PHE  ILE  GLY  ASN  TYR  LEU  GLN  LEU 
 ASN  THR  GLU  GLN  MET  TYR  ASN  SER  LEU  MET 
 LYS  ILE  SER  GLU  ARG  TYR  GLY  PRO  VAL  PHE 
 THR  ILE  HIE  LEU  GLY  PRO  ARG  ARG  VAL  VAL 
 VAL  LEU  CYS  GLY  HIE  ASP  ALA  VAL  ARG  GLU 
 ALA  LEU  VAL  ASP  GLN  ALA  GLU  GLU  PHE  SER 
 GLY  ARG  GLY  GLU  GLN  ALA  THR  PHE  ASP  TRP 
 VAL  PHE  LYS  GLY  TYR  GLY  VAL  VAL  PHE  SER 
 ASN  GLY  GLU  ARG  ALA  LYS  GLN  LEU  ARG  ARG 
 PHE  SER  ILE  ALA  THR  LEU  ARG  ASP  PHE  GLY 
 VAL  GLY  LYS  ARG  GLY  ILE  GLU  GLU  ARG  ILE 
 GLN  GLU  GLU  ALA  GLY  PHE  LEU  ILE  ASP  ALA 
 LEU  ARG  GLY  THR  GLY  GLY  ALA  ASN  ILE  ASP 
 PRO  THR  PHE  PHE  LEU  SER  ARG  THR  VAL  SER 
 ASN  VAL  ILE  SER  SER  ILE  VAL  PHE  GLY  ASP 
 ARG  PHE  ASP  TYR  LYS  ASP  LYS  GLU  PHE  LEU 
 SER  LEU  LEU  ARG  MET  MET  LEU  GLY  ILE  PHE 
 GLN  PHE  THR  SER  THR  SER  THR  GLY  GLN  LEU 
 TYR  GLU  MET  PHE  SER  SER  VAL  MET  LYS  HIP 
 LEU  PRO  GLY  PRO  GLN  GLN  GLN  ALA  PHE  GLN 
 LEU  LEU  GLN  GLY  LEU  GLU  ASP  PHE  ILE  ALA 
 LYS  LYS  VAL  GLU  HIE  ASN  GLN  ARG  THR  LEU 
 ASP  PRO  ASN  SER  PRO  ARG  ASP  PHE  ILE  ASP 
 SER  PHE  LEU  ILE  ARG  MET  GLN  GLU  GLU  GLU 
 LYS  ASN  PRO  ASN  THR  GLU  PHE  TYR  LEU  LYS 
 ASN  LEU  VAL  MET  THR  THR  LEU  ASN  LEU  PHE 
 ILE  GLY  GLY  THR  GLU  THR  VAL  SER  THR  THR 
 LEU  ARG  TYR  GLY  PHE  LEU  LEU  LEU  MET  LYS 
 HIE  PRO  GLU  VAL  GLU  ALA  LYS  VAL  HID  GLU 
 GLU  ILE  ASP  ARG  VAL  ILE  GLY  LYS  ASN  ARG 
 GLN  PRO  LYS  PHE  GLU  ASP  ARG  ALA  LYS  MET 
 PRO  TYR  MET  GLU  ALA  VAL  ILE  HIE  GLU  ILE 
 GLN  ARG  PHE  GLY  ASP  VAL  ILE  PRO  MET  SER 
 LEU  ALA  ARG  ARG  VAL  LYS  LYS  ASP  THR  LYS 
 PHE  ARG  ASP  PHE  PHE  LEU  PRO  LYS  GLY  THR 
 GLU  VAL  TYR  PRO  MET  LEU  GLY  SER  VAL  LEU 
 ARG  ASP  PRO  SER  PHE  PHE  SER  ASN  PRO  GLN 
 ASP  PHE  ASN  PRO  GLN  HIE  PHE  LEU  ASN  GLU 
 LYS  GLY  GLN  PHE  LYS  LYS  SER  ASP  ALA  PHE 
 VAL  PRO  PHE  SER  ILE  GLY  LYS  ARG  ASN  CYH 
 PHE  GLY  GLU  GLY  LEU  ALA  ARG  MET  GLU  LEU 
 PHE  LEU  PHE  PHE  THR  THR  VAL  MET  GLN  ASN 
 PHE  ARG  LEU  LYS  SER  SER  GLN  SER  PRO  LYS 
 ASP  ILE  ASP  VAL  SER  PRO  LYS  HIP  VAL  GLY 
 PHE  ALA  THR  ILE  PRO  ARG  ASN  TYR  THR  MET 
 SER  PHE  LEU  PRO  ARG 


PTRAJ: Processing input from "STDIN" ...

PTRAJ: trajin 2a6_md_2-6_nowat.binpos
  Checking coordinates: 2a6_md_2-6_nowat.binpos

PTRAJ: donor mask @O
Mask [@O] represents 465 atoms

PTRAJ: acceptor mask :2-4,7,9,11,13-37,39-45@N :2-45@H
Mask [:2-4,7,9,11,13-37,39-45@N] represents 38 atoms
Mask [:2-45@H] represents 38 atoms

PTRAJ: donor mask @OXT
Mask [@OXT] represents 1 atoms

PTRAJ: acceptor mask :1@N :1@H1
Mask [:1@N] represents 1 atoms
Mask [:1@H1] represents 1 atoms

PTRAJ: acceptor mask :1@N :1@H2
Mask [:1@N] represents 1 atoms
Mask [:1@H2] represents 1 atoms

PTRAJ: acceptor mask :1@N :1@H3
Mask [:1@N] represents 1 atoms
Mask [:1@H3] represents 1 atoms

PTRAJ: hbond print .05 series hbt
[No output trajectory specified (trajout)]

PTRAJ: Successfully read the input file.
       Coordinate processing will occur on 12877 frames.
       Summary of I/O and actions follows:

INPUT COORDINATE FILES
  File (2a6_md_2-6_nowat.binpos) is an AMBER trajectory with 12877 sets

NO OUTPUT COORDINATE FILE WAS SPECIFIED

ACTIONS
  1>  HBOND saved to series hbt, inter-solvent hbonds will not be included,

      data will be sorted, intra-residue interactions will NOT be included, 
      Distance cutoff is 3.00 angstroms, angle cutoff is 120.00 degrees
      Hydrogen bond information will be dumped for occupancies > 0.05
      Estimated memory usage for this hbond call:   2.75 GB
      donors: 466  acceptors: 41  frames: 12877



Processing AMBER trajectory file 2a6_md_2-6_nowat.binpos

Set      1 .................................................
Set     50 .................................................
Set    100 .................................................
Set    150 .................................................
Set    200 .................................................
Set    250 .................................................
Set    300 .................................................
Set    350 .................................................
Set    400 .................................................
Set    450 .................................................
Set    500 .................................................
Set    550 .................................................
Set    600 .................................................
Set    650 .................................................
Set    700 .................................................
Set    750 .................................................
Set    800 .................................................
Set    850 .................................................
Set    900 .................................................
Set    950 .................................................
Set   1000 .................................................
Set   1050 .................................................
Set   1100 .................................................
Set   1150 .................................................
Set   1200 .................................................
Set   1250 .................................................
Set   1300 .................................................
Set   1350 .................................................
Set   1400 .................................................
Set   1450 .................................................
Set   1500 .................................................
Set   1550 .................................................
Set   1600 .................................................
Set   1650 .................................................
Set   1700 .................................................
Set   1750 .................................................
Set   1800 .................................................
Set   1850 .................................................
Set   1900 .................................................
Set   1950 .................................................
Set   2000 .................................................
Set   2050 .................................................
Set   2100 .................................................
Set   2150 .................................................
Set   2200 .................................................
Set   2250 .................................................
Set   2300 .................................................
Set   2350 .................................................
Set   2400 .................................................
Set   2450 .................................................
Set   2500 .................................................
Set   2550 .................................................
Set   2600 .................................................
Set   2650 .................................................
Set   2700 .................................................
Set   2750 .................................................
Set   2800 .................................................
Set   2850 .................................................
Set   2900 .................................................
Set   2950 .................................................
Set   3000 .................................................
Set   3050 .................................................
Set   3100 .................................................
Set   3150 .................................................
Set   3200 .................................................
Set   3250 .................................................
Set   3300 .................................................
Set   3350 .................................................
Set   3400 .................................................
Set   3450 .................................................
Set   3500 .................................................
Set   3550 .................................................
Set   3600 .................................................
Set   3650 .................................................
Set   3700 .................................................
Set   3750 .................................................
Set   3800 .................................................
Set   3850 .................................................
Set   3900 .................................................
Set   3950 .................................................
Set   4000 .................................................
Set   4050 .................................................
Set   4100 .................................................
Set   4150 .................................................
Set   4200 .................................................
Set   4250 .................................................
Set   4300 .................................................
Set   4350 .................................................
Set   4400 .................................................
Set   4450 .................................................
Set   4500 .................................................
Set   4550 .................................................
Set   4600 .................................................
Set   4650 .................................................
Set   4700 .................................................
Set   4750 .................................................
Set   4800 .................................................
Set   4850 .................................................
Set   4900 .................................................
Set   4950 .................................................
Set   5000 .................................................
Set   5050 .................................................
Set   5100 .................................................
Set   5150 .................................................
Set   5200 .................................................
Set   5250 .................................................
Set   5300 .................................................
Set   5350 .................................................
Set   5400 .................................................
Set   5450 .................................................
Set   5500 .................................................
Set   5550 .................................................
Set   5600 .................................................
Set   5650 .................................................
Set   5700 .................................................
Set   5750 .................................................
Set   5800 .................................................
Set   5850 .................................................
Set   5900 .................................................
Set   5950 .................................................
Set   6000 .................................................
Set   6050 .................................................
Set   6100 .................................................
Set   6150 .................................................
Set   6200 .................................................
Set   6250 .................................................
Set   6300 .................................................
Set   6350 .................................................
Set   6400 .................................................
Set   6450 .................................................
Set   6500 .................................................
Set   6550 .................................................
Set   6600 .................................................
Set   6650 .................................................
Set   6700 .................................................
Set   6750 .................................................
Set   6800 .................................................
Set   6850 .................................................
Set   6900 .................................................
Set   6950 .................................................
Set   7000 .................................................
Set   7050 .................................................
Set   7100 .................................................
Set   7150 .................................................
Set   7200 .................................................
Set   7250 .................................................
Set   7300 .................................................
Set   7350 .................................................
Set   7400 .................................................
Set   7450 .................................................
Set   7500 .................................................
Set   7550 .................................................
Set   7600 .................................................
Set   7650 .................................................
Set   7700 .................................................
Set   7750 .................................................
Set   7800 .................................................
Set   7850 .................................................
Set   7900 .................................................
Set   7950 .................................................
Set   8000 .................................................
Set   8050 .................................................
Set   8100 .................................................
Set   8150 .................................................
Set   8200 .................................................
Set   8250 .................................................
Set   8300 .................................................
Set   8350 .................................................
Set   8400 .................................................
Set   8450 .................................................
Set   8500 .................................................
Set   8550 .................................................
Set   8600 .................................................
Set   8650 .................................................
Set   8700 .................................................
Set   8750 .................................................
Set   8800 .................................................
Set   8850 .................................................
Set   8900 .................................................
Set   8950 .................................................
Set   9000 .................................................
Set   9050 .................................................
Set   9100 .................................................
Set   9150 .................................................
Set   9200 .................................................
Set   9250 .................................................
Set   9300 .................................................
Set   9350 .................................................
Set   9400 .................................................
Set   9450 .................................................
Set   9500 .................................................
Set   9550 .................................................
Set   9600 .................................................
Set   9650 .................................................
Set   9700 .................................................
Set   9750 .................................................
Set   9800 .................................................
Set   9850 .................................................
Set   9900 .................................................
Set   9950 .................................................
Set  10000 .................................................
Set  10050 .................................................
Set  10100 .................................................
Set  10150 .................................................
Set  10200 .................................................
Set  10250 .................................................
Set  10300 .................................................
Set  10350 .................................................
Set  10400 .................................................
Set  10450 .................................................
Set  10500 .................................................
Set  10550 .................................................
Set  10600 .................................................
Set  10650 .................................................
Set  10700 .................................................
Set  10750 .................................................
Set  10800 .................................................
Set  10850 .................................................
Set  10900 .................................................
Set  10950 .................................................
Set  11000 .................................................
Set  11050 .................................................
Set  11100 .................................................
Set  11150 .................................................
Set  11200 .................................................
Set  11250 .................................................
Set  11300 .................................................
Set  11350 .................................................
Set  11400 .................................................
Set  11450 .................................................
Set  11500 .................................................
Set  11550 .................................................
Set  11600 .................................................
Set  11650 .................................................
Set  11700 .................................................
Set  11750 .................................................
Set  11800 .................................................
Set  11850 .................................................
Set  11900 .................................................
Set  11950 .................................................
Set  12000 .................................................
Set  12050 .................................................
Set  12100 .................................................
Set  12150 .................................................
Set  12200 .................................................
Set  12250 .................................................
Set  12300 .................................................
Set  12350 .................................................
Set  12400 .................................................
Set  12450 .................................................
Set  12500 .................................................
Set  12550 .................................................
Set  12600 .................................................
Set  12650 .................................................
Set  12700 .................................................
Set  12750 .................................................
Set  12800 .................................................
Set  12850 ...........................

PTRAJ: Successfully read in 12877 sets and processed 12877 sets.
       Dumping accumulated results (if any)

  HBOND SUMMARY:
      Data was saved to series hbt, 
      data was sorted, intra-residue interactions are NOT included, 
      Distance cutoff is 3.00 angstroms, angle cutoff is 120.00 degrees
      Hydrogen bond information dumped for occupancies > 0.05

  Dumping schematic of time series after each h-bond, key follows:
   |          .       -       o      x      *      @    |
      0-5%   5-20%  20-40%  40-60% 60-80% 80-95% 95-100% occupancy

        DONOR         ACCEPTORH      ACCEPTOR
  atom# :res@atom   atom# :res@atom atom# :res@atom %occupied  distance       angle              lifetime maxocc
 ---------------- --------------------------------- -------------------------------------