Implemented LJ-PME nbnxn kernels

[alexxy/gromacs.git] / src / gromacs / mdlib / domdec.c

diff --git a/src/gromacs/mdlib/domdec.c b/src/gromacs/mdlib/domdec.c
index 37b40d309b15d862599f75487097ad44b2b5ae97..0d5a51049a7354dfe3db6f9eb3662235cd9c9caa 100644 (file)
--- a/src/gromacs/mdlib/domdec.c
+++ b/src/gromacs/mdlib/domdec.c
@@ -9799,7 +9799,7 @@ void dd_partition_system(FILE                *fplog,
         /* Send the charges and/or c6/sigmas to our PME only node */
         gmx_pme_send_parameters(cr, mdatoms->nChargePerturbed, mdatoms->nTypePerturbed,
                                 mdatoms->chargeA, mdatoms->chargeB,
-                                mdatoms->c6A, mdatoms->c6B,
+                                mdatoms->sqrt_c6A, mdatoms->sqrt_c6B,
                                 mdatoms->sigmaA, mdatoms->sigmaB,
                                 dd_pme_maxshift_x(dd), dd_pme_maxshift_y(dd));
     }