Hi Pablo, I would write .rtp entries and so on for each monomer.
You copy the modified files into your working directory. Have a great day, Andrea 2009/10/6 Englebienne, P. <p.englebie...@tue.nl> > Hi all, > > > > I’m looking to perform simulations on a series of synthetic co-polymers > containing a variety of building blocks. I will be testing different > sequences of the monomers, therefore I am looking for a way to streamline > the generation of the topologies. > > > > I have been reading Chapter 5 of the manual, but I’m still a bit puzzled > about how to proceed to build topologies for my system. Should I make an > .itp file for each monomer? Or generate .rtp, .hdb, .tdb and .atp files for > all the possible monomers I will be using? In the case of the latter, how > can I direct GROMACS to read a local copy of the databases instead of a > global one? > > > > I’ll appreciate any pointers in this direction. > > > > Thanks! > > -- > Pablo Englebienne, PhD > Institute of Complex Molecular Systems (ICMS) > Eindhoven Univeristy of Technology, TU/e > PO Box 513, HG -1.26 > 5600 MB Eindhoven, The Netherlands > Tel +31 40 247 5349 > > "Progress is made by lazy men looking for easier ways to do things." - > Robert A. Heinlein > > > > _______________________________________________ > 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/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/mailing_lists/users.php >
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