AMBER Archive (2004)Subject: Re: AMBER: memory problem in NMODE
From: David A. Case (case_at_scripps.edu)
Date: Mon Apr 19 2004 - 19:56:44 CDT
On Mon, Apr 19, 2004, xhu1_at_memphis.edu wrote:
>
> Yes, when a protein has 10 residues, 184 atoms, it works under the
> original parameter(MAXMEMX=15000000), because the required memory for
> real words is just 467183. When a protein has more than 20 residues,
> 346 atoms, it doesn't work under the original parameter. The output
> stopped at "increase the real memory by xxxxxxxxx words"
But what about something greater than 20 but less than 198 resdiues, i.e.
something were you need to increase the memory size, but to something less
than 140 million words?
...dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
==================================================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
|