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Fixed sign error in posres dvdl
[alexxy/gromacs.git]
/
src
/
gmxlib
/
bondfree.c
diff --git
a/src/gmxlib/bondfree.c
b/src/gmxlib/bondfree.c
index 2c25351ec20380e4eb27ad9e2c535f451ba0c5f4..e9f68b3c10337e2ed807f86df9d5a906fcf09f37 100644
(file)
--- a/
src/gmxlib/bondfree.c
+++ b/
src/gmxlib/bondfree.c
@@
-2297,7
+2297,7
@@
real posres(int nbonds,
vtot += 0.5*kk*dx[m]*dx[m];
*dvdlambda +=
0.5*(pr->posres.fcB[m] - pr->posres.fcA[m])*dx[m]*dx[m]
-
-
fm*dpdl[m];
+
+
fm*dpdl[m];
/* Here we correct for the pbc_dx which included rdist */
if (bForceValid)