Hi Mahmoud,
> I am writing today to report an error in AMBER_Tools.
> Assigning the atom types of iodo-molecules according to "-at AMBER"
> gives "Fluoride, F" for " iodine atoms, I".
> Hope you could create a bugfix for this error, I had to repeat a work
> of six months because of this tiny error.
> Thanks in advance, and thanks for this powerful mailing list.
Can you post the exact commands you ran here and the relevant files one
would need to exactly reproduce this. You do not even mention which 'tool'
from AMBER 'toolS' you are referring to here. I assume you mean Antechamber?
All the best
Ross
/\
\/
|\oss Walker
---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
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Received on Wed Jun 01 2011 - 11:00:06 PDT
