Hi gromacs people, Im unfolding a protein over 525K, but simulation is stoped and in the log file appears "WARNING: your box is exploding!", has someone idea about it?, Are there some parameter to modify? I will appreciate very much your help.
Thanks for advance.
Dr. Absalom Zamorano Carrillo
Profesor Titular A
Programa Institucional de Biomedicina Molecular, ENMyH-IPN
Profesor Titular A
Programa Institucional de Biomedicina Molecular, ENMyH-IPN
Guillermo Massieu Helguera #239 Fracc. "La Escalera"
Ticomán, D.F. México, C.P 07320
Tel. (55) 57296000, ext 55542
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