AMBER Archive (2007)

Subject: Re: AMBER: Can t open PDB file in xleap

From: Benjamin Juhl (itbbju_at_itb.uni-stuttgart.de)
Date: Mon Jul 16 2007 - 05:53:16 CDT

A similar question was answered 2005:
http://amber.ch.ic.ac.uk/archive/200505/0276.html
 and 2006:
http://amber.ch.ic.ac.uk/archive/200612/0320.html

Hope the answers there can help you,
Benjamin

Vijay Manickam Achari schrieb:
> [teohtc_at_glycomol02 Lyotropic]$ xleap -f vjbetaMal
> -I: Adding /home/cluster/app/amber7/dat/leap/prep to
> search path.
> -I: Adding /home/cluster/app/amber7/dat/leap/lib to
> search path.
> -I: Adding /home/cluster/app/amber7/dat/leap/parm to
> search path.
> -I: Adding /home/cluster/app/amber7/dat/leap/cmd to
> search path.
> -f: Source vjbetaMal.
> !FATAL ERROR----------------------------------------
> !FATAL: In file [chirality.c], line 116
> !FATAL: Message: No O22 in aaOrig list
>
> Can anyone there help me to solve this problem.
> It states chirality.c error in line 116...
> What is the meaning and how to solve this matter?
>
> Thank you.
> With regards
> Vijay
>
>
>
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