AMBER Archive (2004)

Subject: Re: AMBER: segmentation fault

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Thu Mar 18 2004 - 12:22:24 CST

> 'addAtomTypes { { "V" "V" "sp3" } } '. it seems V can not be =
> recognized as an element name, ' atom type V - unknown element V' was =
> printed in the leap.log file.

This is because leap thinks the symbol for the element is 'Va'
instead of 'V':

% grep -i vanad *.[ch]
elements.c: { "Va", VANADIUM },

You can use 'Va' for a workaround, or change that line in elements.c
and recompile/reinstall.

Leap should not coredump in any case, but maybe this will do the
trick.

Bill
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu