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?
Best,
Matthew
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Nov 14 2023 - 11:00:02 PST
