[AMBER] calculatie the energy between two groups of atoms from an MD trajectory, is it possible?

From: Jose Borreguero <borreguero.gmail.com>
Date: Tue, 29 Oct 2013 16:37:07 -0400

Dear Amber users,

I was wondering whether it is possible to read and MD trajectory and
calculate the energy between two groups of atoms, for instance, between two
nearby amino acids. From the manual, it seems that imin=5 will read the
trajectory and output the energy of the whole system. Can one select the
atoms for which Amber should calculate the energy?

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Received on Tue Oct 29 2013 - 14:00:02 PDT
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