|
|||||||||||||||||||||||||||||||||
AMBER Archive (2009)Subject: [AMBER] Error on equilibriation of Amber10
From: Masakazu SEKIJIMA (sekijima_at_gsic.titech.ac.jp)
Dear Amber users,
I want to simulate protein and organic molecule system.
minimization
After minimization, I tried to equilibrate this system below input file.
md1.in (10K, 1fs x 5000steps) : Initial Equilibriation
But, I could not execute equilibriation. Sander of Amber10 only
-------------------------------------------------------
I could equilibrate another system using above input file on sander of AMBER8.
Best Regards,
-- _____ SEKIJIMA Masakazu, Ph.D. Mail: sekijima_at_gsic.titech.ac.jp
| |||||||||||||||||||||||||||||||||
|