Absalom Zamorano wrote:
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.
Due to temperature the system starts cooking. You can turn off pressure
coupling but then you are simulating at high pressure.
Thanks for advance.
*/Dr. Absalom Zamorano Carrillo
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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David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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