On Sat, Jan 28, 2012 at 9:17 PM, parto haghighi <parto.haghi...@gmail.com> wrote: > Dear gmx-users > I am working on lipid membrane+drug system.I should do umbrella > sampling in this procedure: > 1.cat drug and lipid > 2.energy minimization > 3.run npt > 4.run md_pull > I want to pull drug into the membrane but gromacs pushes the drug to > the sides of box.and this result is independent of drug location > Also I have used 500 ps for my simulation time but when I use ngmx to > see the process,it runs only 56 ps.why? > What can I do when I want to move drug to the bilayer? You may want to check the pull_vec1 and pull_k
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