[gmx-users] cell exploding

[Yuguang Mu]

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