[AMBER] Calculating energies

From: Daniel Schaal <daniel.schaal.uni-bayreuth.de>
Date: Mon, 6 Jun 2011 13:11:19 +0200

Dear all,

I am new to AMBER and i am running a MD of a peptide in solution with a waterbox TIP3PBOX.
When using the process_mdout.perl on the "xxx.out-file" after the production run, i get the energies of the whole system.
Is there a possibility to extract only the contribution to the energy of the peptide, so to speak neglecting the solvents energy.


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Received on Mon Jun 06 2011 - 04:30:02 PDT
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