Dear Gromacs Experts, I want to parametrize Ferric citrate and have already performed DFT calculations using different basis sets, but I am unable to upload the refined molecule on, ATB so that I can get its topology files to proceed further. Please help.
Thanks in advance. Neha. -- 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.
