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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 강력한 폴더 공유 기능과 무료 문자 메시지, 오프라인 쪽지 보내기 기능까지! MSN 메신저의 차세대 버전, Windows Live Messenger! |
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