[gmx-users] Re: Reaction field zero and ions

Williams Ernesto Miranda Delgado wmiranda at fbio.uh.cu
Mon Nov 11 18:08:12 CET 2013


Hello
If I did the MD simulation using PME and neutralized with ions, and I want
to rerun this time with reaction field zero, is there any problem if I
keep the ions? This is for LIE calculation. I am using AMBER99SB.
Thanks
Williams




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