Andersen thermostat is applied with wrong frequency/ at the wrong step - Redmine #2263
Archive from user: Sebastian Wingbermühle
Due to direct data type conversion from float to integer without rounding, the Andersen and Andersen-massive thermostat are a few time steps off the frequency specified in the .mdp file. The problem can be solved by changing one line in update.c (see fix.txt attached below).
(from redmine: issue id 2263, created on 2017-10-05 by gmxdefault, closed on 2017-12-11)
- Relations:
- duplicates #2256 (closed)
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