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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