Hi, You should start with the original literature and/or CHARMM forcefield distribution for its documentation. That wasn't ported to the force field files one can use with GROMACS.
Mark On Thu, Feb 8, 2018 at 7:19 AM Dilip H N <cy16f01.di...@nitk.edu.in> wrote: > Hello, > I want to simulate beta-alanine amino-acid. But in charmm36 FF there are > four different names (three/four letter code) for ALA, ie., ALA, DALA, > ALAI, ALAO. > Out of this, i wanted to know which one corresponds to beta-alanine > structure..?? > > I tried in Avogadro software and i could build only alanine structure, and > not beta-alanine. How can i get the pdb file of beta-alanine..?? any other > ways..? > So, can anybody help me regarding this..?? > > Thank you. > > -- > With Best Regards, > > DILIP.H.N > Ph.D. Student > > > > <https://mailtrack.io/> Sent with Mailtrack > < > https://chrome.google.com/webstore/detail/mailtrack-for-gmail-inbox/ndnaehgpjlnokgebbaldlmgkapkpjkkb?utm_source=gmail&utm_medium=signature&utm_campaign=signaturevirality > > > -- > 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. > -- 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.