On 3/26/17 8:46 AM, Riya Rogers wrote:
Dear All I am new to Gromacs, I wanted to simulate Polymer system with biomolecule. Is there any tutorial? Also, how to include CNT with protein? Any suggestions ?
In general, use pdb2gmx to generate the protein topology, then generate your polymer or CNT topology (the method depends on what these materials are, but either pdb2gmx if it's a linear polymer or x2top if it's a CNT) and #include it within a system .top of your own creation or within the protein .top from pdb2gmx.
There are CNT tutorials online, just use Google. -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.
