Thank you,
--
Jordan MONNET (3rd grade student)
Bachelor in Biology & Computer science
University of Paris Diderot (Paris VII)
Phone: +336 20 70 24 93

http://monnet.jordan.free.fr/

.·´¯`·.. ><((((º>

On Jun 9, 2009, at 10:01 AM, Jordan MONNET wrote:

> Dear Ross,
>
>> This does look pretty weird. Do you have the prmtop and original  
>> inpcrd
>> file? Plus the restart file produced by the run? This looks to me  
>> like there
>> must be some issue with the initial structure
>
> I do and it looks ok.
>
>> If you watch the trajectory file can you see where things start going
>> weird?
>
> I am not sure but it seems to become weird with the production process
>
>> ndfmin and ntcm are 'very' deprecated. I have to go back to AMBER  
>> v7.0 to
>> even find a description in the manual
>
> As you well noticed, I updated AMBER 7 to AMBER 10 but I did the
> protocol with AMBER 7 manual...
>
> Thank you so much, I will look into my input file and make it  
> better ! I guess it
> will make this strange problem disappear
> --
> Jordan MONNET (3rd grade student)
> Bachelor in Biology & Computer science
> University of Paris Diderot (Paris VII)
> Phone: +336 20 70 24 93
>
> http://monnet.jordan.free.fr/
>
> " The most exciting phrase to hear in science, the one that heralds  
> new
> discoveries, is not 'Eureka!' but 'That's funny...' "
> Isaac Asimov
>
>
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