X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fmdrun%2Fminimize.cpp;h=eec144faf42604fa6ae6a41a0607abc4bf580253;hb=f25c404f340028dafc8446cf07d556d02b476b60;hp=42b34a45ebb65dfad3a75720547581f460664f7d;hpb=0a8eeb13f2ba12ebcac6bddb2e3471f3b2a644f5;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/mdrun/minimize.cpp b/src/gromacs/mdrun/minimize.cpp index 42b34a45eb..eec144faf4 100644 --- a/src/gromacs/mdrun/minimize.cpp +++ b/src/gromacs/mdrun/minimize.cpp @@ -1391,7 +1391,6 @@ void LegacySimulator::do_cg() mdatoms->tmass, enerd, nullptr, - nullptr, nullBox, PTCouplingArrays(), 0, @@ -1842,7 +1841,6 @@ void LegacySimulator::do_cg() mdatoms->tmass, enerd, nullptr, - nullptr, nullBox, PTCouplingArrays(), 0, @@ -2149,7 +2147,6 @@ void LegacySimulator::do_lbfgs() mdatoms->tmass, enerd, nullptr, - nullptr, nullBox, PTCouplingArrays(), 0, @@ -2671,7 +2668,6 @@ void LegacySimulator::do_lbfgs() mdatoms->tmass, enerd, nullptr, - nullptr, nullBox, PTCouplingArrays(), 0, @@ -2964,7 +2960,6 @@ void LegacySimulator::do_steep() mdatoms->tmass, enerd, nullptr, - nullptr, nullBox, PTCouplingArrays(), 0,