X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fmdlib%2Fsim_util.cpp;fp=src%2Fgromacs%2Fmdlib%2Fsim_util.cpp;h=357819c491f2cb6c5c6aee427808dea04782c17f;hb=c3f2d46e4047f0c465f7234b3784a2fa6f02a065;hp=b2d98a11a017e75e3b4021aab4b9b7b85371b075;hpb=0595b4a4c763a0bc574658992081abf8b0abc3fe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/mdlib/sim_util.cpp b/src/gromacs/mdlib/sim_util.cpp index b2d98a11a0..357819c491 100644 --- a/src/gromacs/mdlib/sim_util.cpp +++ b/src/gromacs/mdlib/sim_util.cpp @@ -1871,7 +1871,7 @@ void do_force_cutsGROUP(FILE *fplog, t_commrec *cr, if (bDoAdressWF && fr->adress_icor == eAdressICThermoForce) { /* Compute thermodynamic force in hybrid AdResS region */ - adress_thermo_force(start, homenr, &(top->cgs), x, fr->f_novirsum, fr, mdatoms, + adress_thermo_force(start, homenr, x, fr->f_novirsum, fr, mdatoms, inputrec->ePBC == epbcNONE ? NULL : &pbc); }