Add note to avoid constraints=all-bonds
authorBerk Hess <hess@kth.se>
Tue, 2 Oct 2018 19:03:30 +0000 (21:03 +0200)
committerPaul Bauer <paul.bauer.q@gmail.com>
Thu, 4 Oct 2018 10:09:53 +0000 (12:09 +0200)
commitfc8ebb8e01bb590277107ae8b491b49526524dc6
treecdd93a40f91567735d89ed3c6d4ba02f1df5004a
parent6cb791b856e175799124728b3b475153fca3dec9
Add note to avoid constraints=all-bonds

grompp will now issue a note when using constraints=all-bonds with
Amber, CHARMM and OPLS-aa when using a time step smaller than 2.6 fs
and no virtual sites.

Change-Id: Ibe7a9989f202ad6072af156bd0f146a26d775c2c
docs/release-notes/miscellaneous.rst
src/gromacs/gmxpreprocess/gmxcpp.cpp
src/gromacs/gmxpreprocess/gmxcpp.h
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/gmxpreprocess/topio.cpp
src/gromacs/gmxpreprocess/topio.h