[AMBER] Compilation Question

From: Matthew Guberman-Pfeffer via AMBER <amber.ambermd.org>
Date: Tue, 14 Nov 2023 13:52:07 -0500

Dear Amber community,

I need to change the mcmodel flag for the compilation of resp in AmberTools, as well as the limits in limit.h, as instructed in an old post (http://archive.ambermd.org/201307/0619.html) because I need to perform multi-conformational charge fitting on a system with too many charge centers. Where do I edit or add the mcmodel flag in the compilation steps for Amber?


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Received on Tue Nov 14 2023 - 11:00:02 PST
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