[Top][All Lists]

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ESPResSo-users] Espresso hangs with force capping

From: Nick Kinney
Subject: [ESPResSo-users] Espresso hangs with force capping
Date: Thu, 24 Aug 2017 21:27:41 -0400

Dear Espresso MD users,

     I seem to be having trouble with the lennard jones force capping. Basically the line "inter forcecap $cap" causes my simulation to hang and never finish. I attached my simplified script with that command issued on line 111: the simulation does finish with this line commented out. I've tried different syntax for the capping which changed slightly in the newer version of espresso (I'm now using Espresso 3.3.1) I hope I'm  just overlooking something simple. Any help would be appreciated. Thanks Nick

Nicholas Kinney
PhD. Genetics, Bioinformatics, and Computational Biology 
Post-Doctoral Researcher, Edward Via College of Osteopathic Medicine

Attachment: test_simulation.tcl
Description: Tcl script

reply via email to

[Prev in Thread] Current Thread [Next in Thread]