AMBER: how to incorporate ismem =1 into mm_pbsa

Date: Tue, 06 Mar 2007 01:32:19 +0200

Dear all,

How can I incorporate the ismem = 1 option into the mm_pbsa calculations. The default value for ismem is 0 and uses the default value. i.e. Is there a short way to tell mm_pbsa to set the nvect to zero? thanks in advance.

Aytug Tuncel

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Received on Wed Mar 07 2007 - 06:07:30 PST
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