My settings file attached. On Thursday, July 11, 2013 6:19:28 PM UTC+1, [email protected] wrote: > > Dear Users, > > I am running IBI - My system involves 90 beads, protein chain. Each > iteration is 5 ns and I am running 50 of them - at the begining. What I see > is that the first RDF has 100 times higher maximum than the target RDF. In > the second iteration it has 50 time higher maximum... in the third one it > has 5000 higher. Is that normal to have such fluctuations? Or maybe I have > wrong values of > kbT in my settings which is > > <!-- 300*0.00831451 gromacs units --> > <kBT>2.49435</kBT> > > Please, advise. > > Steven >
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settings.xml
Description: XML document
