Dear Gromacs users,
In the pdb2gmx command, we are asked to select the force field to simulate our protein system. I am told that a99SB-disp and CHARMM36m are better force-field for the proteins. But both of them are not the default ones. Can I ask 1) What is the latest officical website to download them? At this website, http://www.gromacs.org/Downloads/User_contributions/Force_fields I could not find a99SB-disp and CHARMM36m. 2) How to install them? Is there a step-by-step instruction for the installation? Thank you. Yours sincerely Cheng CHARMM36m: an improved force field for folded and intrinsically disordered proteins https://www.nature.com/articles/nmeth.4067 a99SB-disp: Developing a molecular dynamics force field for both folded and disordered protein states https://www.pnas.org/content/115/21/E4758 -- 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.
