Dear Justin I am sharing the link, please have a look.
https://www.dropbox.com/s/b1czeuf9hbrjwxi/atomname2type.n2t?dl=0 https://www.dropbox.com/s/b8mfxktucuqge5k/file.pdb?dl=0 https://www.dropbox.com/s/7v58inob81ogo3m/to.top?dl=0 Thanks On Tue, Feb 21, 2017 at 11:30 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 2/21/17 10:05 AM, Rakesh Pant wrote: > >> Dear all, >> >> I am trying to create a topology for a molecule using g_x2top and have >> defined all the atoms with connectivity in *atomname.n2t* file with >> different opls no. for all different types of atoms. >> >> But when I create topology, it does not identify all different atomtypes >> and takes one common opls no. for some of the atoms. >> >> I have attached the pdb file and .n2t file. >> >> > The list does not accept attachments. If you want to share files, upload > them to a file-sharing service and provide the URL. > > -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. > -- Rakesh Pant/राकेश पंत Research Fellow/अनुसंधान फेलो Indian Institute of Science Education and Research (IISER) भारतीय विज्ञान शिक्षा एवं अनुसंधान संस्थान Pune-411008, India/ पुणे - ४११००८, भारत Web:http://www.iiserpune.ac.in/~arun/webarun_files/rp.htm -- 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.