Rep: [CP2K:3666] reaction coordinate constrained MD

shoutian sun sunshou... at
Sun Dec 11 01:32:38 UTC 2011

Dear Sandeep,
Thanks for your reply. Actually, I want to use the 

Thermodynamic integration, and I have no experience 

on this method. Could give me some advice?

Look forward to your reply.
Best regards,
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