[gmx-users] Ambconv running

Shozeb Haider shozeb.haider at pharmacy.ac.uk
Wed Dec 5 20:52:20 CET 2007


I am trying to use AMBCONV. However, it gives me a segmentation fault 
when I try to run it. I have seen that other users have posted a similar 
problem with the program on the mailing list. It seems to me that 
AMBCONV only uses older Amber formats. I have even generated that using 
set default oldprmtopformat on command. However I get the same 
segmentation fault. One user (David Evans) have mentioned that

"You can generate these from new format files using a utility in the amber package, but they will have an extra (7th) digit
on the fouth line which will cause ambconv to crash."

Does any one know what he means by the extra (7th) digit on the fourth line. Which file is he referring to ? The prmtop or the rst ? 

Any answers will be greatly appreciated.

Best wishes

Shozeb Haider 
The London School of Pharmacy

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