Dear amber users, I am working with protein-ligand interaction. The protein shows high degree of side-chain conformational changes and minimal backbone conformational changes during ligand binding. In order to capture these side chain flexibility, as a initial step, I would like to do clustering based on the side-chain flexibility (i.e. categorise different areas in protein based on the degree of side chain flexibility). Is there a way to do such a calculation in Gromacs?. Can any one suggested me a way to proceed with this sort of analysis?
Waiting for your valuable reply. Thanks in advance Best regards Anu -- 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
