AMBER Archive (2007)

Subject: AMBER: Average absolute value of cross velocity (Rate constant from PMF)

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Dear Sir/Madam,
 
I am trying to calculate the rate constant (kTST) from the potential of mean force results. Could you please kindly teach me how to calculate the average absolute value of cross velocity?
 
Best regards,
 
Cat.
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• Next message: Catein Catherine: "AMBER: How to calculate the time-dependent transmission coefficient for rate constant esimation from PMF ca"
• Previous message: Catein Catherine: "RE: AMBER: Polarizable Force Field: Ligand Parameterization et al."
• In reply to: FyD: "Re: AMBER: prepin file format description; pointers on parameterization"
• Next in thread: David A. Case: "Re: AMBER: Average absolute value of cross velocity (Rate constant from PMF)"
• Reply: David A. Case: "Re: AMBER: Average absolute value of cross velocity (Rate constant from PMF)"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]