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Interoperate with alchLambdaFreq in NAMD#770

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jhenin merged 1 commit intomasterfrom
lambdadyn_namd_fix
Feb 26, 2025
Merged

Interoperate with alchLambdaFreq in NAMD#770
jhenin merged 1 commit intomasterfrom
lambdadyn_namd_fix

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@jhenin jhenin commented Feb 21, 2025

alchLambdaFreq is a yet undocumented NAMD feature that makes the alchemical lambda evolve according to a linear ramp over time. This change set ensures compatibility of that feature with Colvars:

  • prevents conflicts between the ramp and lambda-dynamics from Colvars
  • fetches the up-to-date value of lambda when using linear ramps.

alchLambdaFreq is a yet undocumented NAMD feature that makes the
alchemical lambda evolve according to a linear ramp over time.
This change set ensures compatibility of that feature with Colvars:
- prevents conflicts between the ramp and lambda-dynamics from Colvars
- fetches the up-to-date value of lambda when using linear ramps.
@jhenin jhenin force-pushed the lambdadyn_namd_fix branch from bec7927 to 99a197c Compare February 25, 2025 14:34
@jhenin jhenin merged commit 525ad8e into master Feb 26, 2025
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