On 6/22/17 6:59 AM, Nikhil Maroli wrote:
Dear Justin, I have generated topology for CNT using gmx x2top. There is cyclic peptide nanotube wrapped over the CNT (eight CP rings in equal intervals) otherwise let's say, CNT is inserted into the Cyclic peptide nanotube. I wanted to put the whole system into the lipid bilayer. I was using charmm-gui for the input generator since it provides easy hand on CPN, So is it possible to convert the CNT topology which generated with gmx x2top to 'Topology and Parameters' for charmm-gui (*.rtf and *.prm)?
Possibly, but I've never tried it. Assuming it's an "infinite" molecule, the periodic bonding could be tricky. You may just want to build the membrane and then write a little script to carve out a cylinder of suitable size later, and overlay your existing coordinates. Probably a lot less effort, in the end.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 629 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
