Re: AMBER: Big system in Gibbs

From: ENikitina <>
Date: Tue, 22 Jul 2003 19:40:07 +0400 (MSD)

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

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)?

Ekaterina Nikitina

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Received on Tue Jul 22 2003 - 16:53:01 PDT
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