Re: [AMBER] Minimisation and periodic boundaries

From: Stejskal, Lenka <>
Date: Wed, 5 Dec 2018 16:11:44 +0000

Dear Dan,

Thank you very much for your answer.

Lower down is pasted the file CHARMM GUI prepared for me.

The waters are recognised, I checked that.

During minimization it doesnt seem to select for periodic boundary conditions, do I need to correct that do you say?

Thank you

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Received on Wed Dec 05 2018 - 08:30:02 PST
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