AMBER Archive (2008)

Subject: AMBER: nmode

From: jacopo.sgrignani_at_unifi.it
Date: Mon Apr 21 2008 - 12:38:44 CDT

Hi,
i would like to perform an entropy extimation on a system aroud 7500
atom, but I usually get same different errors.
My ws has 8GB of RAM, the first time I tought that i Had to better
minimize my protein but also with a more expensive minimization (10000
cycles and 0.00001 RMS) I can only get segmentation fault error in the
ws with 8GB of RAM, and ASSERTion ' ier == 0 ' failed in nmode.f at
line 106, in another ws with 4GB of ram.
Are the other softwares to perfrom this type of calculations ? Or same
news in AMBER10?

Thanks a lot

Jacopo
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