Dear Gromacs Users! I want to simulate sensory rhodopsin which in the ground-state contains cys-retinal covalently bonded to the polypeptide mainchain of photoreceptor via Shiff base. Now I'm looking for reasonable parameters of that retinal cofactor group for charmm ( 27 or 36 force field) I'll be very thankfull to anyone who can provide me with such rtp integrated in the gromacs files. Recently I've already tried to integrate non-standart residue of the another protein. That time I've deal with the GFP chromophore wich should be integrated to the rtp of charmm ff but I forced with the problems of definition of the contacts of the chromophore with the rest of the polypeptide of GFP itself. I hope that in case of retinal situation would be simpler due to only one covalent bond between that cofactor and photoreceptor. :)
Thanks for help, James -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
