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[ESPResSo] trouble with tabulate potentials


From: 강지원
Subject: [ESPResSo] trouble with tabulate potentials
Date: Mon, 1 Sep 2008 16:38:15 +0900

Dear espresso users
 
I'm trying to simulate a simple test case of Poly(ethylene) with tablulated bond and non-bond interaction potential.
 
I made a potential with structurual distribution fuction of all-atom MD simulation results.
 
With that potential i got these series of message
 
 {086 particle coordinate out of range, pos = -28235093640131156.000000, image box = -2147483648}
 
I have no idea to make a correct numerical potential form.
 
If you have any example or guideline for using table potential form,  please help me.
 
best regards,
Jeewon
 

 
 


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