AMBER: sander free energy calculation

From: Cai, Yufeng <>
Date: Tue, 11 Jan 2005 14:47:03 -0500

Dear Amber Users,
        I was using Sander to do a TI calculation. During the equilibration, the program stopped abnormally and gave the following information:
  "SANDER BOMB in subroutine setup_grids
 Resulting cutoff is too small for your lower limit"

Does anyone know what it means? Thanks a lot.

BTW, I was using the lambda=0.5 to do the minimization and equilibration.


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Received on Tue Jan 11 2005 - 19:53:01 PST
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