[gmx-users] floating exception

[Florian Haberl]

Hi,

On Tuesday, 4. September 2007 09:49, TANG JIAOWEI wrote:
> Dear all,
>     I am beginner in Gromacs. When I used g_hbond to calculate the number
> of hydrogen bonds between two proteins, "floating exception" happened. I
> try it many times, and the same problem is still exsits. Could you tell me
> what is the problem?
> Thank you !

Please specify your problem more 

- size of the system, protein 

does other utilities work, does g_hbond work with smaller systems on your 
hardware?

g_hbond needs huge amount of memory, perhaps you have to change your index 
groups to a smaller number our change your analysis computer.



>
>
> Jiaowei Tang


Greetings,

Florian

-- 
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 Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Telephone:  	+49(0) − 9131 − 85 26581
 Mailto: florian.haberl AT chemie.uni-erlangen.de
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