Hi everybody! I have a question about free energy computation. What algorithm i should use for constraining h-bonds SHAKE or LINCS then i'm doing free energy computation? Is any sufficient difference is exist?
Sergey. -- View this message in context: http://gromacs.5086.x6.nabble.com/SHAKE-or-LINCS-for-free-energy-computations-tp5011272.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
