you shall use AMBER's
new2oldparm < new > old
to get the old format file.
I remember that David Mobley has another ambconv script on his website
(http://www.alchemistry.org/) but it is not accessible right now.
Regards,
Yang Ye
On 12/6/2007 3:52 AM, Shozeb Haider wrote:
Hi,
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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