Dear All I want to run a simulation for a protein-peptide complex where the N- & C-terminal of the peptide is capped by acetyl and amine (NH2) group respectively. I am using the charmm36ff but couldn't find the parameters for NH2 group anywhere. I tried using SwissParam to generate the .itp but don't know how to convert it to .rtp.
Kindly help regarding this. Thanking you Yours sincerely -- Nidhi Batra DBT-Research Associate Institute of Genomics and Integrative Biology (IGIB), Mathura Road, Sukhdev Vihar New Delhi 110020 -- 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.
