AMBER Archive (2007)

Subject: AMBER: how to incorporate ismem =1 into mm_pbsa

From: AYTUG TUNCEL (ATUNCEL_at_ku.edu.tr)
Date: Mon Mar 05 2007 - 17:32:19 CST

Dear all,

How can I incorporate the ismem = 1 option into the mm_pbsa calculations. The default value for ismem is 0 and mm_pbsa.pl 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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