Re: [gmx-users] gromacs 5.0

I haven't used membed with v5.0, but in v4.6.5 you make a text file with the options that you can still find in the legacy g_membed help documentation: http://manual.gromacs.org/online/g_membed.html e.g. a file with something like: nxy = 1000 nz = 0

Re: [gmx-users] How deuterium order parameters computed?

I believe the two approaches you list are identical; the prefactors of 2/3 and 1/3 in the equation specified assume a tetrahedral symmetry. This relation is often just stated as fact (since it is relatively straightforward to derive) but there is a nice write up of it by J.-P. Douliez, A.