Dear Gromacs Users I would like to suggest a project in free energy calculations which can be in cooperation. The project is to demonstrate a novel and interesting method to calculate free energy differences between two solvation/binding processes. The first simulations are rather simple (solvation) and it can be extended to (binding) and to demonstrating more theoretical parts. The requirements are experience in MD simulations and alchemical transformations and immediate availability. An experience in writing an article is an advantage. To my opinion the demonstrations is likely to lead to an article or to be combined with existing material into an article. Information on the method can be found at: http://arxiv.org/abs/1310.2112
People that are interested can contact me in the follwoing emails: asaf.fa...@weizmann.ac.il asaf.fa...@gmail.com Thanks, Best regards, Asaf-- 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
