[gmx-users] How to generate topology file of cyclodextrin for gromacs?

atb files atbfiles at zoho.com
Fri Jul 5 06:08:09 CEST 2019


        

        
            Hi,First decide on which force field you want to use. There are scripts and online servers for generating the topology.For example  https://atb.uq.edu.au/ For generating gromos54a7 forcefield.http://zarbi.chem.yale.edu/ligpargen/For OPLS/CM1A parameter generator. Similarly CHARMM and AMBER also has their topology generator. -YogeshSent using Zoho Mail---- On Fri, 05 Jul 2019 07:45:33 +0530  jsPARK<junsu8808 at gmail.com> wrote ----I could downloaded pdb file of alpha cyclodextrin with coordination. But I have no idea how to generate topology file for that.  Although I found a similar question and answers in the archive, I only could pdb file of only one a-D-glycan.    https://www.mail-archive.com/gromacs.org_gmx-users@maillist.sys.kth.se/msg36186.html  Could you tell me more specific procedure how to generate topology file from pdb file?  --  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-request at gromacs.org. 
        
        

    
    



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