Rep [CP2K:3668] reaction coordinate constrained MD
shoutian sun
sunshou... at yahoo.com.cn
Sun Dec 11 02:59:39 UTC 2011
Dear Sandeep,
Thank you so much on your such rapid reply. ^_^
With this method, I donot have to specify ALCHEMICAL_CHANGE
in MOTION section and mixed method right?
Best regards,
sun
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