[AMBER] Thermodynamic integration by parameter interpolation (PI-TI)

From: Veenis, Andrew Jay <ajv6.psu.edu>
Date: Thu, 7 May 2020 14:01:05 +0000

Hello,

The AMBER webpage at https://ambermd.org/GPUSupport.php specifies that PI-TI is supported by AMBER 18. While I found the 2018 JCTC paper from Darrin York's group, I could not find any documentation on how this method was actually implemented within AMBER 18. Is there any documentation that discusses how AMBER 18 supports PI-TI?

Thanks,

Drew

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Received on Thu May 07 2020 - 07:30:02 PDT
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