Backport valgrind suppression

Was added to master by 106ca9e6 and is now also required by
Jenkins for 5.0. Unclear what triggered that it is required.

Change-Id: I272600716fc986fe77a03fb86da827ba40d17adf
Fixed typo in cmake warning.

Change-Id: Id096ed65567fa671dce40970948b6435d9c357a0
Removed spurious GLY dihedral in AMBER03.

Fixes #1632

Change-Id: I7302e42558454d546e14d7784077fb72c0dbfad7
Updated some .mdp file variables to use "-" instead of deprecated "_"

In the .mdp file, now a minus sign instead of an underline is
generally used. Some sections of the manual still listed .mdp
variable names in the old notation.

- three manual sections (pulling, enforced rotation and computational
  electrophysiology) now use "-" instead of "_" in .mdp file variable
  names
- updated output of rotation code to reflect this up-to-date notation
- no functional changes are in this patch

Change-Id: I7b00193d3e3d549ce8c9a728b307280c0bdd35ce
Fix DD bonded interaction range print

A recent fix caused the DD setup printing of the maximum bonded
distance to instead print the max of the bonded and the list buffer
to the log file. This was a printing issue only.
Refs #1607.

Change-Id: I685e2e5e07f2f1a0a39c5eef4264a77ddfcecb31
Corrected parameter for sorting on search grid

The nbnxn grid search sorting range parameter used the whole box
height instead of the local DD cell height with domain decomposition
along z. This could not cause errors, but the search used O(N^2) time
with more than 4 domains along z, instead of O(N).

Change-Id: I324df6b15635a5ecff7c8bfeb124fdb933e5f845
When writing TNG the input must contain molecule data.

When using trjcat to write TNG the input must also be TNG since
no tpr file is used.

Fixes #1626

Change-Id: I060e0174f9a471e134a4a899f83afaf02f4fce00
Avoid NaN in rlist buffer calculation

With constraints on large masses and very low tolerance, the Verlet
buffer calculation could produce 1/0. This could lead to a somewhat
too smaller buffer.
Also added a missing scaling factor to the contribution of the third
derivative of the potential. This issue only caused a minor
overestimate for systems with constraints and without electrostatics.

Change-Id: I97e9d428a83f1b4954012ebd39bc49d397574f8c
Fixed twin-range + freeze + constraints

With twin-range cut-offs, atoms which are both frozen and constrained
would experience very large or NaN forces, leading to constraint
warnings and errors.
Fixes #1639.

Change-Id: I1871a87054fec1149c9ed75872451df79a8ac2d2
Merge release-5-0 into master

Conflicts:
	src/gromacs/mdlib/domdec.cpp (std::max)

Change-Id: Iaa77c561f52cf5815c35cb08008cf578d1be2314