[gmx-users] Simulation a labeled protein

Dear all I am trying to simulate a protein which a label (a small organic molecule) is covalently attached to a cysteine. Worth to say there is no label in the original pdb file of protein and it was attached to the Cys. using a software. Should I insert the label parameters into the conf.gro fil

Re: [gmx-users] Simulation a labeled protein

u in the process > http://compbio.biosci.uq.edu.au/atb/ > > > On 21/07/11 7:43 PM, Faezeh Nami wrote: > > Dear all > > I am trying to simulate a protein which a label (a small organic > molecule) is covalently attached to a cysteine. Worth to say there is no > lab

Re: [gmx-users] Simulation a labeled protein

n anycase, it is better to copy the files into >>your local directory so an change you made will not effect other >>simulations. >> >>Cheers, >>Itamar >> >> >>PS I can recommend on this site which can help you in the process >>