[gmx-developers] Andersen-Massive thermostat bug

[Momchil Ivanov]

Hallo,

we found a bug recently in the Andersen-Massive thermostat in
gromacs-5.0.4. Here is a patch

--- src/gromacs/mdlib/coupling.c	2014-07-07 15:03:16.000000000
    +0200
+++ src/gromacs/mdlib/coupling.c	2015-02-19 16:27:10.715949316
    +0100
@@ -743,7 +743,7 @@
         }
         if (randomize[gc])
         {
-            if (ir->etc == etcANDERSEN)
+            if (ir->etc == etcANDERSENMASSIVE)
             {
                 bRandomize = TRUE;
             }

I am not subscribed to the list so please CC me.

Greetings,
Momchil