[gmx-users] xtcrev.py script

mohammad agha mra_bu at yahoo.com
Wed Jan 11 09:43:24 CET 2012

Dear prof.

I used a piece of python code that reverses a trajectory named xtcrev.py ((c)2011 Tsjerk A. Wassenaar), I have one problem when I ran it as following:
./xtcrev.py 1a.xtc > 1a-rev.xtc
it's error is:

Traceback (most recent call last):
  File "./xtcrev.py", line 54, in <module>
    n   = 92 + i(f.read(84)[-4:])       # Size of frame in bytes
  File "./xtcrev.py", line 24, in i
    def i(x): return sum([ord(x[j])<<(24-j*8) for j in range(4)])
IndexError: string index out of range

May I ask you to help me pease?
Thank you very much in advance.

Best Regards
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