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Removed SC RPower 48 from FEP kernel
[alexxy/gromacs.git]
/
src
/
gromacs
/
fileio
/
tpxio.cpp
diff --git
a/src/gromacs/fileio/tpxio.cpp
b/src/gromacs/fileio/tpxio.cpp
index c39d7f0edbd4f80ad27645ad0ea4fe38cc6ab27a..301d07bb576cbaee3cc1be876f4381d70e4bed8d 100644
(file)
--- a/
src/gromacs/fileio/tpxio.cpp
+++ b/
src/gromacs/fileio/tpxio.cpp
@@
-562,6
+562,10
@@
static void do_fepvals(gmx::ISerializer* serializer, t_lambda* fepvals, int file
{
fepvals->sc_r_power = 6.0;
}
+ if (fepvals->sc_r_power != 6.0)
+ {
+ gmx_fatal(FARGS, "sc-r-power=48 is no longer supported");
+ }
serializer->doReal(&fepvals->sc_sigma);
if (serializer->reading())
{