Restore the lost mc_temp check in grompp
authorAleksei Iupinov <a.yupinov@gmail.com>
Tue, 23 Jan 2018 11:45:04 +0000 (12:45 +0100)
committerBerk Hess <hess@kth.se>
Fri, 16 Mar 2018 09:45:21 +0000 (10:45 +0100)
commit9f432aba6770af968f5a4d540249506a2f23e9b3
tree63e913d0d5522f404a5986fbe85718a1b611e6dc
parent9a2e38a91c0621d2ecbf1bf9fd94640fa564885c
Restore the lost mc_temp check in grompp

The expression for checking whether the reference temperature
is defined is moved into a helper function.

Change-Id: Ib331f52e8031a5e5d7c32234cfe936024c49ac28
src/gromacs/gmxpreprocess/readir.cpp
src/gromacs/mdtypes/inputrec.cpp
src/gromacs/mdtypes/inputrec.h