AMBER Archive (2004)

Subject: AMBER: VDWAALS error during minimisation

From: anita pachaimuthu (
Date: Thu Sep 16 2004 - 09:42:34 CDT

The min.out file during minimsation has xxxxx in VDWAALS for the first 14 Nstep steps.Can somebody help me find the reason for the error and can i ignore this error and proceed to equilibrate.
The input file to minimisation is a docked file where i allowed some bonds to roatate ,could this be the one causing the problem.
Thanking You,

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