Would the ATB https://atb.uq.edu.au/ be of some use as well?
regards Gary Dr Gary S Thompson NMR Facility Manager CCPN CoI & Working Group Member Wellcome Trust Biomolecular NMR Facility School of Biosciences, Division of Natural Sciences University of Kent, Canterbury, Kent, England, CT2 7NZ ☎:01227 82 7117 ✉️: [email protected] orchid: orcid.org/0000-0001-9399-7636 On 11 Jun 2025, at 20:15, Charles Schwieters <[email protected]> wrote: Hello Yoanes-- I am Yoanes from Ghent University. Recently, we planned to calculate structure based on NMR data regarding DNA:PNA-small molecule conjugate complex. Is there a certain nomenclature to build the topology and parameter files for PNA residues? A good starting point might be the CHARMM PNA parameters- I am certain that these can be adapted for use in Xplor-NIH. You might obtain these parameters, and then contact me if you need assistance in building Xplor-NIH .top and .par files. best regards-- Charles ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: https://eur01.safelinks.protection.outlook.com/?url=http%3A%2F%2Flist.nih.gov%2Fcgi-bin%2Fwa.exe%3FSUBED1%3DXPLOR-NIH%26A%3D1&data=05%7C02%7Cg.s.thompson%40kent.ac.uk%7Cbda9b8872a8d43fa62e608dda91c58fd%7C51a9fa563f32449aa7213e3f49aa5e9a%7C0%7C0%7C638852661571846715%7CUnknown%7CTWFpbGZsb3d8eyJFbXB0eU1hcGkiOnRydWUsIlYiOiIwLjAuMDAwMCIsIlAiOiJXaW4zMiIsIkFOIjoiTWFpbCIsIldUIjoyfQ%3D%3D%7C0%7C%7C%7C&sdata=IoNqoTP3ycKd2auPlHn9OHp45DpgVyjFy9h53jgw3oA%3D&reserved=0 ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
