Thank you,
>On Thu, Jul 17, 2003, ENikitina wrote:
>>
>> I have problem with free energy calculations in Gibbs. My system consists of
>> 17000 atoms and I can?t run my simulation because of problems with number of
>> non-bonded pairs.
>
>You will probably need to modify the sizes at the very top of gib.a, then
>recompile.
I've done this (made sizes as large as it was possible), but it didn't help. Is there any other way (parallel run or 64-bit)?
Thanks,
Ekaterina Nikitina
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Jul 22 2003 - 16:53:01 PDT
