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[lammps-users] Problem with a simulation
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[lammps-users] Problem with a simulation


From: "A. M.M" <alaa.murar@...24...>
Date: Sun, 10 Sep 2017 14:44:28 +0300

بسم الله الرحمن الرحيم

Hello,

I attached to you two file ( Configuration and Input ) for a simulation of biomolecule called  "G6 EDA-cored PAMAM Dendrimer".

I faced many problems when I run this simulation and I solved all of them, but now when I run this simulation and after the first step it print "temp = -nan and all of energies = -nan", and when I check the xyz output file it contains only the initial positions that I configured and all new positions are equal to -nan.

Could you help me for find the wrong in this simulation?

Attachment: EDA-PAMAM-G6_Conf.in
Description: Binary data

Attachment: EDA-PAMAM-G6_in.in
Description: Binary data