Dear GROMACS Users, I'm planning to work on a protein that activates itself under lower pH conditions. And I don't have any clues how to do it in GROMACS. My first question is about the possibilities to do this in GROMACS, has anyone done this before? It can even be a constant simulations at a particular lower/higher pH or gradually lowering/increasing pH.
Any suggestion on this would give me a lead. Thanks Peterson J -- View this message in context: http://gromacs.5086.n6.nabble.com/MD-simulation-with-varying-pH-tp4999095.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
