This might help. http://vienna-ptm.univie.ac.at/
*------------------------Thanks and Regards,Bipin Singh* On Wed, Aug 20, 2014 at 4:30 PM, Michael Carter <michael.car...@icr.ac.uk> wrote: > Hi, > > I have two questions regarding the parameterisation of Zinc ions and a > phosphorylated TYR residue within two different protein systems. > > > 1. Zinc parameters: > > I have three zinc ions within one protein system. I want to use a bonded > model so that they do not fly out of my protein upon simulation. Is there > any documentation on the parameters for such a model in the GROMOS > forcefield? > > 2. Phosphorylated TYR > > In another system I have a phosphorylated TYR residue. PDB2GMX does not > like this and after looking inot the manual I have found that you can add > parameters for this to the existing forcefields. Much like the previous > question, is there any documentation on the addition of parameters for > phosphorylated residues in the GROMOS forcefield? > > Any pointers for these questions would be greatly appreciated. > > Cheers, > Mike Carter > > The Institute of Cancer Research: Royal Cancer Hospital, a charitable > Company Limited by Guarantee, Registered in England under Company No. > 534147 with its Registered Office at 123 Old Brompton Road, London SW7 3RP. > > This e-mail message is confidential and for use by the addressee only. If > the message is received by anyone other than the addressee, please return > the message to the sender by replying to it and then delete the message > from your computer and network. > -- > 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.