<html><body><div style="color:#000; background-color:#fff; font-family:bookman old style, new york, times, serif;font-size:14pt"><div>Dear prof.</div><div><br></div><div>I used <span>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:</span></div><div><span>./xtcrev.py 1a.xtc > 1a-rev.xtc</span></div><div><span>it's error is:</span></div><div><span><br></span></div><div><span>Traceback (most recent call last):<br> File "./xtcrev.py", line 54, in <module><br> n = 92 + i(f.read(84)[-4:]) # Size of frame in bytes<br> File "./xtcrev.py", line 24, in i<br> def i(x): return sum([ord(x[j])<<(24-j*8) for j in range(4)])<br>IndexError: string index out of range</span></div><div><br><span></span></div><div>May I ask you to help me pease?</div><div>Thank you very
much in advance.</div><div><br></div><div>Best Regards</div><div>Sara<br><span></span></div><div><br><span></span></div><div><br><span></span></div><div><br><span></span></div><div><span><br></span> </div></div></body></html>