Re: [AMBER] Minimisation and periodic boundaries

From: Stejskal, Lenka <lenka.stejskal.15.ucl.ac.uk>
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


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