On Tue, Nov 14, 2023, Matthew Guberman-Pfeffer via AMBER wrote:
>
>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?
Are you sure the -mcmodel flag still exists? I don't see any mention of it
in AmberTools/src/etc.
As you note, the above is a very old post. Have you tried just increasing
the values in limits.h?
...dac
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Received on Tue Nov 14 2023 - 20:30:02 PST
