Hi all I have a system of 40 solute molecules in a solvent of 480 crown ether molecules. I am not trying to insert 100 methane molecules into this relaxed and well equilibrated structure using genbox. There are clearly visible cavities in the fluid but genbox only alllows the insertion of 8 methane molecules. How can I circumvent this problem ? The command I use is
genbox -cp test.gro -ci methane.gro -nmol 100 -try 5 -p combined.top where combined.top includes all three itp files, and test.gro is the initial solute and solvent configuration. Cheers Gavin -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
