[gmx-users] cell exploding

Yuguang Mu ygmu at theochem.uni-frankfurt.de
Mon Mar 10 10:32:16 CET 2003


Hi Gmx-users,
My simulation system is RNA + water + Na+
If I did it without pressure coupling, the simulation is quite OK.
But when I switch on the pressure coupling,
the box begins exploding then crash after around 100 ps.

Do you know some reasons ?

Dr. Yuguang Mu
Institute for Physical and Theoretical Chemistry
J.W. Goethe University Frankfurt am Main
Marie Curie Str. 11
60439 Frankfurt/Main, Germany
Tel: +49-(0)69-798-29711





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