Hi Tom, Yes. that sounds like a good starting point. Please send.
Erik On 6 Feb 2014, at 19:39, Thomas Piggot <t.pig...@soton.ac.uk> wrote: > Hi Erik, > > It's not a very smart approach, but I have a very basic script that can > convert CHARMM36 (and probably Slipids as I think they are named and ordered > the same) into some united-atom force fields (43A1-S3, Berger, 53A6L and > CKP). I can dig it out and send it to you off list, if you are interested? > > Cheers > > Tom > > On 02/06/2014 03:07 PM, Erik Marklund wrote: >> Hi users, >> >> I've searched the web for tools that convert atom names in pdb files from >> e.g. gromos nomenclature to amber or stockholm lipid nomenclature, but with >> no luck. Manually mapping the atom names is obviously error prone, so if >> anyone know of a script or a smart approach for this, do tell. >> >> Kind regards, >> Erik >> >> >> Erik Marklund, PhD >> Postdoctoral Research Associate >> >> Department of Chemistry >> Physical & Theoretical Chemistry Laboratory >> University of Oxford >> South Parks Road >> Oxford >> OX1 3QZ >> > > -- > Dr Thomas Piggot > University of Southampton, UK. > > -- > 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.
