AMBER: VDWAALS error during minimisation

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From: anita pachaimuthu <anita_pachaimuthu.lycos.com>
Date: Thu, 16 Sep 2004 09:42:34 -0500

Hi,
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,
Anita

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Received on Thu Sep 16 2004 - 16:53:00 PDT