Dear gmx users, I'm working on simulating a protein with two cofactors (hem and tetrahydrofolat) and its substrate. I'm in the first stage; generating topology. I choose CHARMM27 as a force field and I'm little bit confused on how to generate tetrahydrofolate's topology.
I tried the online tool of SwissParam but it doesn't work, although it worked with the substrate ( an amino-acide). Failure message: "Unfortunately, topology and parameters were not successfully generated for THG." Is there any other tools that I can use? Are they reliable? In other words: what are my options (pros and cons of each server/method?). Thank you in advance for your help. Regards. Zeineb -- 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.