AMBER Archive (2005)

Subject: AMBER: sander free energy calculation

From: Cai, Yufeng (Yufeng.Cai_at_umassmed.edu)
Date: Tue Jan 11 2005 - 13:47:03 CST

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.

yufeng

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