X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fmdlib%2Ftables.c;fp=src%2Fgromacs%2Fmdlib%2Ftables.c;h=c883d4afabfceb5154892a069d2254b6d584d640;hb=c3f2d46e4047f0c465f7234b3784a2fa6f02a065;hp=a6f3b202258c34933727e335b9a0528af29a2e12;hpb=0595b4a4c763a0bc574658992081abf8b0abc3fe;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/mdlib/tables.c b/src/gromacs/mdlib/tables.c index a6f3b20225..c883d4afab 100644 --- a/src/gromacs/mdlib/tables.c +++ b/src/gromacs/mdlib/tables.c @@ -944,11 +944,11 @@ static void fill_table(t_tabledata *td, int tp, const t_forcerec *fr, break; case etabEwald: case etabEwaldSwitch: - Vtab = gmx_erfc(ewc*rc)/rc; + Vcut = gmx_erfc(ewc*rc)/rc; break; case etabEwaldUser: /* Only calculate minus the reciprocal space contribution */ - Vtab = -gmx_erf(ewc*rc)/rc; + Vcut = -gmx_erf(ewc*rc)/rc; break; case etabRF: case etabRF_ZERO: