Allow negative pressure in MonteCarloAnisotropicBarostat (#4081)

519e072b · Stephen Farr · GitHub · 655518c3 · 519e072b
Unverified Commit 519e072b authored May 23, 2023 by Stephen Farr Committed by GitHub May 23, 2023
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openmmapi/src/MonteCarloAnisotropicBarostat.cpp openmmapi/src/MonteCarloAnisotropicBarostat.cpp +0 -2

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--- a/openmmapi/src/MonteCarloAnisotropicBarostat.cpp
+++ b/openmmapi/src/MonteCarloAnisotropicBarostat.cpp
@@ -43,8 +43,6 @@ MonteCarloAnisotropicBarostat::MonteCarloAnisotropicBarostat(const Vec3& default
 }
 void MonteCarloAnisotropicBarostat::setDefaultPressure(const Vec3& pressure) {
-    if (pressure[0] < 0 || pressure[1] < 0 || pressure[2] < 0)
-        throw OpenMMException("All components of pressure must be non-negative");
    defaultPressure = pressure;
 }