Dear all, I am trying to do some two phase simulations with Decane molecules and some other smaller molecules.
When I did simulations with smaller molecules, I specifies the properties based on each atom, while I just realized it is really not desirable to do it with Decane molecules ( 34 atoms each molecule). I am wondering if anyone could provide one coordinate file and the itp ( or .top ) file for the Decane simulation if you have ever done it before. I did not find very detailed Decane molecule models. Thank you very much. Best Regards, Kai -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
