AMBER Archive (2002)Subject: perturbation of gln to glu
From: M. L. Dodson (bdodson_at_scms.utmb.EDU)
Date: Sun Oct 13 2002 - 19:02:00 CDT
People,
I need to do a perturbation of a gln to glu. How should I treat the
charge change?
1. ignore it
2. mutate one of the waters to a cation during the calculation to compensate
3. something else
Thanks,
Bud Dodson
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M. L. Dodson bdodson_at_scms.utmb.edu
409-772-2178 FAX: 409-772-1790
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