Fix all internal coordinates during MD run
Mike Ruggiero
miker... at gmail.com
Wed Jul 27 07:40:13 UTC 2016
Hello everyone,
I've done a bit of digging around but I can't seem to find if there is an
option for fixing internal molecular coordinates during an AIMD run in an
easy way. Is this possible, or am I required to manually list each
bond/angle/dihedral I want to constrain?
Thanks in advance,
Michael Ruggiero
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